SCHEMBL4150642

SCHEMBL4150642

O=C1Cc2cc3nc[nH]c3cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AHR P35869 4/20 0.41
CMA1 P23946 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
EIF2AK2 P19525 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
KIF11 P52732 1/20 0.40
PDK2 Q15119 1/20 0.38
QPCT Q16769 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NEK2 P51955 1/20 0.36

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
SCHEMBL1150222 0.93 MAPT (0.42) MAPTKDM4EALDH1A1APEX1RECQL
Water SCHEMBL10473604 0.92 MAPT (0.41) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL22495923 0.85 CA9 (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL9377791 0.79 CA9 (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL9379984 0.78 TDP2 (0.47) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL31010750 0.73 AHR (0.59) AHRCMA1PDE3BPDE3AEIF2AK2
SCHEMBL9559304 0.71 AHR (0.42) ALDH1A1AHRCMA1PDE3BPDE3A
SCHEMBL9834560 0.71 KIF11 (0.41) MAPTKDM4EALDH1A1TDP1AHR
SCHEMBL10649057 0.70 CYP11B1 (0.40) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL25313697 0.69 MAPT (0.44) MAPTKDM4EALDH1A1APEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 US disclosed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-4981864-A ANTICOAGULANTS BOEHRINGER MANNEHIM GMBH (DE) 1991-01-01 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 MAPT 2890/4885KDM4E 2826/4885ALDH1A1 88/4885
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 MAPT 2911/4885KDM4E 3652/4885ALDH1A1 898/4885

“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.