SCHEMBL15976012

SCHEMBL15976012

COC(=O)c1cc(Br)nc(-c2ccc(N3CCOCC3)nc2)c1N=[N+]=[N-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ERN1 O75460 2/20 0.41
MAPK1 P28482 2/20 0.40
MTOR P42345 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CNR2 P34972 4/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
WNT3A P56704 1/20 0.38
SYK P43405 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
ATR Q13535 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL15800339 0.88 MAPT (0.41) HDAC6MAPK1MTORCYP1A2MAPT
SCHEMBL110183 0.83 ATR (0.46) ZAP70HDAC6ERN1MTORPDE10A
SCHEMBL15976011 0.82 KMT2A (0.42) MTORMAPTHPGD
SCHEMBL15976020 0.81 ALDH1A1 (0.45) MAPK1MAPTHPGD
SCHEMBL15800327 0.78 KMT2A (0.47) ERN1MTORATRHPGD
SCHEMBL15976016 0.76 MAPT (0.43) MAPTHPGD
SCHEMBL15976000 0.76 TACR3 (0.41) MAPTHPGD
SCHEMBL15800345 0.74 KDR (0.37) MAPK1MAPTHPGD
SCHEMBL15976014 0.74 ALDH1A1 (0.38) ERN1CYP1A2MAPTCYP2C19HPGD
SCHEMBL15800338 0.74 MAPT (0.41) HDAC6MAPK1MTORCYP1A2MAPT

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 ZAP70 106/4885HDAC6 738/4885ERN1 1580/4885

“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.