SCHEMBL4903170

SCHEMBL4903170

O=c1nc(-c2ccc3ccccc3c2)cc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
CYP1A2 P05177 3/20 0.47
CA12 O43570 1/20 0.46
MAOB P27338 1/20 0.46
ALPL P05186 1/20 0.46
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 2/20 0.45
AR P10275 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL144673 0.81 CYP1A2 (0.53) CYP1A2NOTUMALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28736083 0.79 CYP1A2 (0.52) CYP1A2NOTUMALDH1A1RAB9ASMN1; SMN2
SCHEMBL6196178 0.75 KMO (0.46) CYP1A2MAOBNOTUMALDH1A1NPC1
SCHEMBL12655974 0.74 CYP1A2 (0.59) GSTP1CYP1A2CA12MAOBALDH1A1
SCHEMBL2876314 0.74 NOTUM (0.66) GSTP1CYP1A2CA12MAOBNOTUM
SCHEMBL2354303 0.74 MEN1 (0.46) ALPLALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4173625 0.74 CYP1A2 (0.50) GSTP1CYP1A2CA12MAOBALPL
SCHEMBL2349960 0.74 XDH (0.53) NOTUMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10509994 0.74 MAPK1 (0.55) ALPLALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4252580 0.73 CDC7 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 GSTP1 4101/4885CYP1A2 2313/4885CA12 4879/4885
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A GSTP1 2030/4885CYP1A2 2520/4885CA12 4759/4885

“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.