SCHEMBL6070896

SCHEMBL6070896

O=C(NCc1ccco1)c1ccc2c(c1)[nH]c1c2ccc2cn[nH]c21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HPGD P15428 3/20 0.54
TSHR P16473 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 2/20 0.50
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
ATM Q13315 1/20 0.48
ROCK2 O75116 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6071398 0.93 MAPT (0.53) MAPTHPGDTSHRNPC1TP53
SCHEMBL6071024 0.82 HPGD (0.50) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL6071299 0.81 ROCK2 (0.49) ROCK2MAPK1
SCHEMBL5407291 0.80 MAPT (0.64) MAPTHPGDTSHRNPC1TP53
SCHEMBL6071757 0.78 ROCK2 (0.43) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL6071239 0.78 KDM4E (0.47) MAPTHPGDRAB9AALDH1A1KMT2A
SCHEMBL6070511 0.77 MAPK1 (0.50) MAPTHPGDALDH1A1KDM4EROCK2
SCHEMBL6070463 0.77 IMPDH2 (0.54) MAPTHPGDALDH1A1KDM4EROCK2
SCHEMBL6071235 0.76 SHMT2 (0.53) MAPTHPGDTSHRNPC1TP53
SCHEMBL6071427 0.75 KDM4E (0.54) HPGDNPC1TP53RAB9AALDH1A1

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 MAPT 639/4885HPGD 3207/4885TSHR 2057/4885

“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.