SCHEMBL15976013

SCHEMBL15976013

COC(=O)c1cc(Br)nc(-c2ccc(OCc3ccccc3)cc2)c1N=[N+]=[N-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
PLA2G2A P14555 1/20 0.41
CNR1 P21554 1/20 0.41
SMPD1 P17405 1/20 0.40
DHODH Q02127 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PRMT5 O14744 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.38

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
SCHEMBL15976006 0.87 PLA2G2A (0.48) MCL1PLA2G2ADHODHSMN1; SMN2HDAC1
SCHEMBL15976000 0.87 TACR3 (0.41) PLA2G2ADHODHSMN1; SMN2MEN1KMT2A
SCHEMBL110167 0.83 MCL1 (0.46) MCL1PLA2G2ACNR1SMPD1DHODH
SCHEMBL15976014 0.79 ALDH1A1 (0.38) RAB9ASMN1; SMN2
SCHEMBL15800345 0.79 KDR (0.37) RAB9AMEN1KMT2A
SCHEMBL15800330 0.77 CA12 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL15976018 0.77 PDCD1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15976008 0.75 KMO (0.40) DHODHNPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL15976015 0.75 ALDH1A1 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL15800339 0.74 MAPT (0.41) NPC1RAB9ASMN1; SMN2HDAC1HDAC3

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-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
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 MCL1 36/4885PLA2G2A 4509/4885CNR1 761/4885

“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.