SCHEMBL20186414

SCHEMBL20186414

Brc1cnn2ccc(-c3cccs3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
GSK3B P49841 1/20 0.46
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CAMK2D Q13557 11/20 0.42
BLM P54132 1/20 0.42
AXL P30530 1/20 0.41
KCNH2 Q12809 3/20 0.41

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
SCHEMBL20202127 0.82 RAB9A (0.48) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL20202142 0.77 AXL (0.41) AXL
SCHEMBL20202108 0.75 CDK2 (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13993123 0.73 CSNK2A1 (0.67) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL12953165 0.73 GSK3B (0.59) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL20186451 0.73 LPL (0.43) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL22923438 0.72 CAMK2D (0.50) CAMK2DKCNH2
SCHEMBL20186115 0.72 DYRK1A (0.54) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL3350963 0.72 TGFBR1 (0.53) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL31118652 0.71 PIM1 (0.49) AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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 (2 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D MAPT 2710/4885KDM4E 2635/4885ALDH1A1 1512/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D MAPT 2710/4885KDM4E 2635/4885ALDH1A1 1512/4885

“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.