SCHEMBL4063142

SCHEMBL4063142

COc1cccc2[nH]c(CCl)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
CBFB Q13951 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPSE Q9Y251 2/20 0.45
CACNA1H O95180 1/20 0.43
PARP1 P09874 1/20 0.42
PDE5A O76074 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 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
SCHEMBL7504985 0.84 TP53 (0.44) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL23782113 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL15767238 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL13326887 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL15767458 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
Hydrochloric Acid SCHEMBL23782091 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL8314437 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL1161517 0.79 ABCG2 (0.48) SMN1; SMN2ALDH1A1HPGDHSD17B10NPC1
SCHEMBL38661177 0.79 MAOB (0.54) SMN1; SMN2ALDH1A1HPGDTP53CYP3A4
SCHEMBL30186048 0.79 TNKS (0.59) PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 WO disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 WO disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 WO disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2004-01-29 US disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 WO disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO 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-20230117034-A1 PYRAZOLOTRIAZINES BRCA1, TPX2, CCND2 SMN1; SMN2 3374/4885ALDH1A1 1070/4885HPGD 127/4885
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 SMN1; SMN2 4802/4885ALDH1A1 1755/4885HPGD 407/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 SMN1; SMN2 3624/4885ALDH1A1 3305/4885HPGD 662/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 SMN1; SMN2 3624/4885ALDH1A1 3305/4885HPGD 662/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 SMN1; SMN2 4802/4885ALDH1A1 1755/4885HPGD 407/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 SMN1; SMN2 3624/4885ALDH1A1 3305/4885HPGD 662/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 SMN1; SMN2 3624/4885ALDH1A1 3305/4885HPGD 662/4885

“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.