SCHEMBL178679

SCHEMBL178679

COCCOc1ccc(-c2nc(-c3ccc(OC)cc3)cc(C)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.45
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SYK P43405 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHEK2 O96017 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40

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
SCHEMBL178690 0.88 DYRK1A (0.55) DYRK1AHRH2HRH3EGFRKDR
SCHEMBL178694 0.83 XDH (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15976429 0.82 PLA2G2A (0.57) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL178708 0.79 ACP1 (0.47) DYRK1AEGFRKDRKMT2AMAPT
SCHEMBL14930473 0.76 MCHR1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14930515 0.76 MCHR1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL110395 0.72 PLA2G2A (0.69) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL13554406 0.71 CYP3A4 (0.50) HRH3MAPTCHEK2KDM4E
SCHEMBL12093635 0.71 CA12 (0.55) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL143039 0.69 KDM4E (0.57) DYRK1AMAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 DYRK1A 317/4885HRH2 1895/4885HRH3 1160/4885

“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.