SCHEMBL21671809

SCHEMBL21671809

CC(C)(C)c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GABRA5 P31644 1/20 0.33
SCN1A P35498 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL25587239 0.89 RAB9A (0.44) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL23589790 0.84 RAB9A (0.50) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL18737257 0.81 RAB9A (0.44) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL12255679 0.78 L3MBTL1 (0.53) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL77481 0.78 KDM4E (0.47) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL2737128 0.77 TSHR (0.51) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL7996271 0.76 CCR1 (0.43) KDM4ERAB9ATSHRSMN1; SMN2HPGD
SCHEMBL26277665 0.76 HPGD (0.33) POLBKDM4ERAB9AHPGDMAPK1
SCHEMBL14925205 0.76 KDM4E (0.42) POLBKDM4ERAB9ATSHRSMN1; SMN2
SCHEMBL6370552 0.75 KDM4E (0.40) POLBKDM4ERAB9ATSHRSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 US disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 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 (7 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 POLB 3475/4885KDM4E 1482/4885RAB9A 3552/4885
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B POLB 3305/4885KDM4E 1699/4885RAB9A 1481/4885
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 POLB 355/4885KDM4E 4699/4885RAB9A 2710/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 POLB 1198/4885KDM4E 2963/4885RAB9A 4181/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI POLB 480/4885KDM4E 4796/4885RAB9A 2831/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI POLB 480/4885KDM4E 4796/4885RAB9A 2831/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP POLB 1991/4885KDM4E 2269/4885RAB9A 1456/4885

“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.