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SCHEMBL139706

SCHEMBL139706

COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35

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
SCHEMBL110216 0.94 JAK2 (0.39) JAK2CCR2MEN1KMT2ASMN1; SMN2
SCHEMBL143937 0.83 PPARG (0.44) PPARGGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL13284186 0.83 PPARG (0.44) PPARGGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL110219 0.78 P2RX3 (0.39) PPARGMAPTSMN1; SMN2NPSR1GAA
SCHEMBL140181 0.77 JAK2 (0.61) JAK2
SCHEMBL144259 0.74 JAK2 (0.42) JAK2LMNAMAPTKDM4EALDH1A1
SCHEMBL144258 0.74 HDAC1 (0.37) JAK2LMNAMAPTKDM4EALDH1A1
SCHEMBL170380 0.73 PDE1B (0.41) JAK2PDE1B
SCHEMBL143786 0.72 JAK2 (0.52) JAK2MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL141523 0.70 PLA2G2A (0.47) JAK2CCR2MEN1LMNAKMT2A

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 9 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
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP 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
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
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 JAK2 1/4885PPARG 1361/4885TDP1 1912/4885

“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.