SCHEMBL8205448

SCHEMBL8205448

Cn1nnc(-c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 3/20 0.48
IDO1 P14902 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
GRM5 P41594 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
ACLY P53396 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 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
SCHEMBL2228326 0.82 KMO (0.47) IDO1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL8215849 0.82 SMN1; SMN2 (0.47) CYP1A2CYP2C19KMT2AKDM2BKDM4C
SCHEMBL8212790 0.81 ACLY (0.53) GRM5TRPM8ACLYNPC1NFKB1
SCHEMBL513853 0.81 LMNA (0.54) IDO1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL13892292 0.80 XPO1 (0.58) XPO1IDO1MEN1CYP1A2CYP2C9
SCHEMBL1823889 0.79 TRPM8 (0.42) KDM2BKDM4CTRPM8ACLYNPC1
SCHEMBL1092403 0.79 AHR (0.45) IDO1MEN1CYP1A2KMT2ANPSR1
SCHEMBL1628780 0.79 HSD17B2 (0.58) CYP2C9TRPM8ACLYNPC1NFKB1
SCHEMBL926466 0.79 LMNA (0.45) MEN1KMT2ATRPM8ACLYNPC1
SCHEMBL13880158 0.79 AAK1 (0.47) XPO1IDO1CYP2C9GRM5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063365-A1 AZETIDINES AS EP2 ANTAGONISTS PFIZER LIMITED (GB) 2009-05-22 WO disclosed
US-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
WO-2008021733-A2 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 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 (1 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-20090098085-A1 TETRAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 XPO1 2852/4885IDO1 846/4885MEN1 4615/4885

“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.