SCHEMBL12766976

SCHEMBL12766976

CC(C)c1ncnc2c1cnn2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.58
PI4K2B Q8TCG2 1/20 0.58
PI4K2A Q9BTU6 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALOX15 P16050 1/20 0.50
NSD2 O96028 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HAVCR2 Q8TDQ0 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15079234 0.80 KDM4E (0.40) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL24392123 0.77 XDH (0.56) SMN1; SMN2KDM4EALOX15KMT2AMEN1
SCHEMBL25237125 0.75 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL22645142 0.74 MAPT (0.42) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL25637243 0.74 MAPT (0.42) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL19700808 0.74 KDM4E (0.62) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL24392129 0.74 NPC1 (0.66) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL4379601 0.73 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL12826084 0.73 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL25605061 0.73 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11667652-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-06-06 US disclosed
US-11667652-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2023-06-06 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20110077250-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-03-31 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 PI4KA 1052/4885PI4K2B 1572/4885PI4K2A 1661/4885
US-20110077250-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 PI4KA 3468/4885PI4K2B 3561/4885PI4K2A 3733/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV PI4KA 2364/4885PI4K2B 2929/4885PI4K2A 2891/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL PI4KA 1190/4885PI4K2B 1681/4885PI4K2A 1792/4885
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP PI4KA 2185/4885PI4K2B 2648/4885PI4K2A 2472/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 PI4KA 2460/4885PI4K2B 2510/4885PI4K2A 2467/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 PI4KA 1052/4885PI4K2B 1572/4885PI4K2A 1661/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 PI4KA 1052/4885PI4K2B 1572/4885PI4K2A 1661/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 PI4KA 1052/4885PI4K2B 1572/4885PI4K2A 1661/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 PI4KA 1223/4885PI4K2B 1511/4885PI4K2A 1635/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 PI4KA 2340/4885PI4K2B 3355/4885PI4K2A 3173/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 PI4KA 2704/4885PI4K2B 2922/4885PI4K2A 2850/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 PI4KA 1769/4885PI4K2B 1368/4885PI4K2A 1606/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK PI4KA 1477/4885PI4K2B 1766/4885PI4K2A 2106/4885
US-11667652-B2 MCL1 inhibitors MCL1, BCL2L1, BCLAF1 PI4KA 1791/4885PI4K2B 1754/4885PI4K2A 2302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.