SCHEMBL6289641

SCHEMBL6289641

Cn1nc(OCC2CC2)c(-c2ccc3c(c2)OCO3)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 2/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GRM2 Q14416 1/20 0.39
MERTK Q12866 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RIPK2 O43353 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37

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
SCHEMBL6288875 0.84 KMT2A (0.45) KMT2AMAPTUSP2ADORA2AADORA1
SCHEMBL6289177 0.82 ADORA2A (0.54) KMT2AMAPTUSP2ADORA2AADORA1
SCHEMBL6289234 0.80 RIPK2 (0.44) KMT2AMAPTUSP2ADORA2AADORA1
SCHEMBL6288946 0.79 GABRP (0.51) KMT2AMAPTUSP2KDM4EHPGD
SCHEMBL6293084 0.78 KMT2A (0.42) KMT2AMAPTUSP2ADORA2AADORA1
SCHEMBL7848497 0.75 GABRP (0.47) KMT2AMAPTUSP2KDM4EHPGD
SCHEMBL6292681 0.74 MAPT (0.49) KMT2AMAPTUSP2ADORA2AADORA1
SCHEMBL6289856 0.72 KDM4E (0.37) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL6180875 0.69 MAPK14 (0.60) KMT2AMAPTUSP2ADORA2AADORA1
SCHEMBL983383 0.66 MAOB (0.57) KMT2AUSP2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 KMT2A 4504/4885MAPT 4430/4885USP2 4691/4885

“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.