SCHEMBL4190133

SCHEMBL4190133

COC(=O)c1ccc(-c2nn(-c3ccccc3)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 1/20 0.55
AURKA O14965 3/20 0.55
TP53 P04637 1/20 0.53
PTGS2 P35354 1/20 0.53
HTT P42858 1/20 0.53
PTPN1 P18031 1/20 0.52
CA12 O43570 2/20 0.51

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
SCHEMBL13890467 0.84 MEN1 (0.68) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL23928522 0.81 MAPT (0.74) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL4186718 0.81 RAB9A (0.65) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL10028840 0.80 PTGS2 (0.67) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL23928479 0.80 KMT2A (0.70) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL4193436 0.76 PTGS2 (0.58) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL4184447 0.76 PTGS2 (0.65) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL4179630 0.75 HPGD (0.54) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL16510709 0.75 ALDH1A1 (0.65) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6580398 0.75 MAPT (0.54) MAPTKDM4ELMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 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-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles CYP3A4, CYP4B1, CYP2E1 MAPT 1343/4885KDM4E 2607/4885LMNA 4581/4885

“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.