SCHEMBL2060138

SCHEMBL2060138

Nc1ncc(CNc2cc(C(=O)NC3CC3)ccc2F)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMYD3 Q9H7B4 2/20 0.41
AR P10275 2/20 0.41
MAPK14 Q16539 4/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
MCHR1 Q99705 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
BACE1 P56817 1/20 0.39
PLAU P00749 1/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL2060039 0.80 KDR (0.55) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL2060020 0.79 KDR (0.47) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL885592 0.77 KDR (0.48) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL2060044 0.75 RIPK1 (0.51) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL2060136 0.75 MCHR1 (0.46) ARMAPK14BMPR1BBMPR1ATGFBR1
SCHEMBL2060127 0.73 KDR (0.54) KDRHDAC1HDAC8HDAC6AR
SCHEMBL10082850 0.72 KDR (0.53) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL885701 0.72 RIPK1 (0.52) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL2060255 0.72 RIPK1 (0.47) KDRSMYD3MAPK14MCHR1
SCHEMBL2855519 0.71 KDR (0.75) KDRHDAC1HDAC8HDAC6MAPK14

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
CN-101600714-B Novel pyrindole kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-08-21 CN disclosed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
CN-101600714-A Novel kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN disclosed
EP-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP disclosed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 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-20100041636-A1 NOVEL KINASE INHIBITORS IGF1R, FGFR1, FLT1 KDR 5/4885HDAC1 789/4885HDAC8 1462/4885

“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.