SCHEMBL110216

SCHEMBL110216

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
P2RX3 P56373 3/20 0.37
KDM5B Q9UGL1 1/20 0.35
SLC5A1 P13866 1/20 0.35
RUVBL1 Q9Y265 1/20 0.35
MDM2 Q00987 2/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
CCR2 P41597 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
S1PR5 Q9H228 1/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL139706 0.94 JAK2 (0.38) JAK2MEN1KMT2ANPSR1CCR2
SCHEMBL110219 0.81 P2RX3 (0.39) P2RX3NPSR1SMN1; SMN2
SCHEMBL140181 0.78 JAK2 (0.61) JAK2
SCHEMBL143937 0.77 PPARG (0.44) P2RX3RUVBL1ALDH1A1
SCHEMBL13284186 0.76 PPARG (0.44) P2RX3ALDH1A1
SCHEMBL139111 0.70 JAK2 (0.74) JAK2
SCHEMBL110326 0.69 P2RX3 (0.40) JAK2P2RX3NPSR1ALDH1A1SMN1; SMN2
SCHEMBL144259 0.69 JAK2 (0.42) JAK2ALDH1A1
SCHEMBL144258 0.69 HDAC1 (0.37) JAK2ALDH1A1
SCHEMBL109314 0.67 CACNA1H (0.42) MEN1KMT2ANPSR1

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 2 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-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 JAK2 1/4885P2RX3 3501/4885KDM5B 658/4885

“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.