SCHEMBL6281968

SCHEMBL6281968

N#Cc1cccc(CNc2cncc(Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.48
CYP2C19 P33261 9/20 0.48
CYP3A4 P08684 7/20 0.48
CLK4 Q9HAZ1 5/20 0.48
VNN1 O95497 5/20 0.48
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.48
MAPK1 P28482 3/20 0.48
ALOX15 P16050 2/20 0.48
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
CYP2D6 P10635 6/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.46
CYP2C9 P11712 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL22791987 0.84 VNN1 (0.49) CYP1A2CYP2C19CYP3A4CLK4VNN1
SCHEMBL6283187 0.82 MAP4K4 (0.48)
SCHEMBL1192525 0.80 BRAF (0.53)
SCHEMBL28884642 0.80 FYN (0.59)
SCHEMBL29933870 0.80 FYN (0.59)
SCHEMBL3143358 0.78 CDK2 (0.57) CYP1A2CYP2C19CYP3A4ALDH1A1MAPK1
SCHEMBL4014599 0.77 CDK2 (0.60)
SCHEMBL1981974 0.77 CTSB (0.48) CYP1A2CYP2C19CYP3A4CLK4VNN1
SCHEMBL1678795 0.75 LTA4H (0.53) CYP1A2CYP2C19CYP3A4CLK4HSD17B10
SCHEMBL5207658 0.75 CLK4 (0.51) CLK4ALDH1A1TSHRMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (3 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-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CYP1A2 340/4885CYP2C19 440/4885CYP3A4 1391/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CYP1A2 340/4885CYP2C19 440/4885CYP3A4 1391/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A CYP1A2 364/4885CYP2C19 452/4885CYP3A4 1329/4885

“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.