SCHEMBL20115779

SCHEMBL20115779

CCC(C)c1ncnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
RAB9A P51151 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
SCHEMBL21362866 0.86 SMN1; SMN2 (0.43) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL6371765 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL28260795 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL25679866 0.77 SMN1; SMN2 (0.44) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL12533983 0.73 GPR3 (0.47) ALDH1A1MEN1KMT2ARAB9AGAA
SCHEMBL27877228 0.72 SMN1; SMN2 (0.47) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL22918311 0.72 SMN1; SMN2 (0.54) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL11266782 0.71 LMNA (0.51) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL12847433 0.71 TSHR (0.44) HTTL3MBTL1TSHR
SCHEMBL24700723 0.71 LOXL2 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
US-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2018-05-03 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 (4 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-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ATG7, ADRM1 PI4KA 1732/4885PI4K2B 1618/4885PI4K2A 1703/4885
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-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP PI4KA 1924/4885PI4K2B 2453/4885PI4K2A 2290/4885

“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.