SCHEMBL146444

SCHEMBL146444

ClCCn1cc2cc(Br)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.38
BACE1 P56817 1/20 0.36
NPM1 P06748 1/20 0.35
ALK Q9UM73 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PABPC1 P11940 1/20 0.32
S1PR1 P21453 1/20 0.31
CASP3 P42574 1/20 0.31
NT5E P21589 1/20 0.31

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
SCHEMBL16569404 0.83 HDAC8 (0.40) HDAC8BACE1HDAC6IRAK4HTT
SCHEMBL31394603 0.83 HDAC8 (0.38) HDAC8BACE1IRAK4HTTALDH1A1
SCHEMBL21411441 0.80 IRAK4 (0.38) HDAC8BACE1IRAK4
SCHEMBL3351415 0.80 IRAK4 (0.40) HDAC8BACE1IRAK4ALDH1A1NPC1
SCHEMBL1637329 0.79 HDAC8 (0.39) HDAC8BACE1NPM1ALKHDAC6
SCHEMBL1129002 0.78 HDAC8 (0.48) HDAC8HDAC6ALDH1A1RXFP1
SCHEMBL2328458 0.78 MCHR1 (0.49) HTTALDH1A1NPC1MAPTRAB9A
SCHEMBL1128943 0.78 HDAC8 (0.50) HDAC8HDAC6HTTALDH1A1MAPT
SCHEMBL23632983 0.77 IRAK4 (0.41) HDAC8BACE1HDAC6IRAK4MAPT
SCHEMBL29209083 0.77 HDAC8 (0.42) HDAC8BACE1HDAC6IRAK4HTT

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 6 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
CN-102325752-A Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN 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 HDAC8 1344/4885BACE1 4549/4885NPM1 1701/4885

“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.