SCHEMBL170380

SCHEMBL170380

COC(=O)c1cc(-c2ccc3c(cnn3C)c2)nc2c3ccc(N4CCC(N(C)C)CC4)cc3n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.41
CACNA1H O95180 1/20 0.39
HRH1 P35367 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.36
MCHR1 Q99705 2/20 0.36
WNK1 Q9H4A3 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
DPP4 P27487 1/20 0.35
PLK1 P53350 4/20 0.35
CYP11B2 P19099 1/20 0.35
FGFR2 P21802 1/20 0.35
CREBBP Q92793 1/20 0.34
EGFR P00533 2/20 0.34

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
SCHEMBL142075 0.85 PLA2G2A (0.46) CACNA1HJAK2CREBBP
SCHEMBL178706 0.84 CACNA1H (0.44) CACNA1HJAK2CREBBP
SCHEMBL138288 0.79 JAK2 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL109314 0.78 CACNA1H (0.42) CACNA1H
SCHEMBL144258 0.77 HDAC1 (0.37) JAK2
SCHEMBL144259 0.77 JAK2 (0.42) JAK2JAK3
SCHEMBL143786 0.76 JAK2 (0.52) JAK2FGFR2
SCHEMBL139706 0.73 JAK2 (0.38) PDE1BJAK2
SCHEMBL3807615 0.73 JAK2 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL2471310 0.72 PLA2G2A (0.34) PDE1BJAK2

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 5 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
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO 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 PDE1B 1057/4885CACNA1H 4219/4885HRH1 1731/4885

“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.