SCHEMBL6909011

SCHEMBL6909011

O=c1[nH][nH]c(-c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.56
GAA P10253 3/20 0.54
MAPK14 Q16539 1/20 0.49
CYP1A2 P05177 1/20 0.48
SERPINE1 P05121 1/20 0.46
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.43
TYMP P19971 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHA2 P29317 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
SCHEMBL3265916 0.89 MAPK14 (0.53) GSK3BGAAMAPK14SERPINE1POLB
SCHEMBL5215641 0.83 MAPK14 (0.71) GSK3BMAPK14
SCHEMBL3561082 0.80 MAPT (0.48) GAACYP1A2SERPINE1POLBHPGD
SCHEMBL1573566 0.79 TYMP (0.62) GSK3BGAACYP1A2SERPINE1HPGD
SCHEMBL1573392 0.79 TYMP (0.62) GSK3BGAACYP1A2SERPINE1HPGD
SCHEMBL6906868 0.78 MAPT (0.50) GSK3BGAAMAPK14CYP1A2LMNA
SCHEMBL7093919 0.77 ALDH1A1 (0.55) GSK3BGAACYP1A2SERPINE1HPGD
SCHEMBL7092828 0.77 ALDH1A1 (0.55) GSK3BGAACYP1A2SERPINE1HPGD
SCHEMBL4842006 0.70 TYMP (0.51) GAASERPINE1HPGDTYMPKDM4E
SCHEMBL3555150 0.70 GCGR (0.58) GSK3BGAAMAPK14LMNAMAPT

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-6673923-B2 PYRAZOLE AND PYRAZOLONE DERIVATIVES, USEFUL AS RNA POLYMERASE INHIBITORS AND ANTIBIOTICS TULARIK INC. 2004-01-06 US disclosed
US-20020049205-A1 Pyrazole antimicrobial agents AMGEN INC. 2002-04-25 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 (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-20020049205-A1 Pyrazole antimicrobial agents POLRMT, POLR1C, RNGTT GSK3B 3342/4885GAA 1642/4885MAPK14 3475/4885

“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.