SCHEMBL20186115

SCHEMBL20186115

c1csc(-c2ccn3nccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
KDM4E B2RXH2 9/20 0.52
ALDH1A1 P00352 8/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
SCN5A Q14524 1/20 0.44
NPC1 O15118 4/20 0.44
HSD17B10 Q99714 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL3347287 0.79 DYRK1A (0.44) DYRK1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2587900 0.77 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL20202141 0.77 DYRK1A (0.54) DYRK1ASCN5ATGFBR1MAPK14
SCHEMBL2202069 0.75 DYRK1A (0.49) DYRK1ASCN5ARAB9ACYP1A2TGFBR1
SCHEMBL3498318 0.74 DYRK1A (0.63) DYRK1AKDM4EKMT2AMAPTSCN5A
SCHEMBL20202127 0.72 RAB9A (0.48) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL20186414 0.72 MAPT (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5463496 0.72 CSNK2A1 (0.54) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5454734 0.72 PDE10A (0.53) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12953626 0.72 PIM1 (0.53) KDM4EALDH1A1MEN1KMT2AMAPT

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
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
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 DYRK1A 945/4885KDM4E 2635/4885ALDH1A1 1512/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D DYRK1A 945/4885KDM4E 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.