SCHEMBL16304147

SCHEMBL16304147

N#Cc1ccc(-n2cnc3ccc(-c4ccccc4)cc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.51
FGFR1 P11362 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
KDR P35968 1/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SRC P12931 1/20 0.44

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
SCHEMBL18584369 0.88 CYP1A2 (0.45) ATMHTTMAPTKMT2ANPSR1
SCHEMBL15288227 0.86 FGFR1 (0.57) ATMFGFR1
SCHEMBL16291053 0.85 HTT (0.62) ATMFGFR1HTTALDH1A1HPGD
SCHEMBL12822206 0.85 FGFR1 (0.46) FGFR1HTTALDH1A1HPGDMAPK1
SCHEMBL16304148 0.85 GSK3B (0.48) ATM
SCHEMBL19781276 0.85 KDR (0.57) ATMFGFR1HTTALDH1A1HPGD
SCHEMBL17940687 0.84 HTT (0.57) FGFR1HTTALDH1A1HPGDMAPK1
SCHEMBL12821909 0.82 FGFR1 (0.66) FGFR1HPGD
SCHEMBL18584750 0.82 JAK2 (0.48) ATMALDH1A1
SCHEMBL18609278 0.81 GABRP (0.43) ATM

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-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-26 US disclosed
US-9908886-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-06 US disclosed
US-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-02-05 US disclosed
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-12-18 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 (3 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-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 ATM 342/4885FGFR1 1017/4885HTT 1564/4885
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 ATM 352/4885FGFR1 1393/4885HTT 1908/4885
US-20140371199-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 ATM 352/4885FGFR1 1393/4885HTT 1908/4885

“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.