SCHEMBL2060044

SCHEMBL2060044

O=C(NC1CC1)c1ccc(F)c(NCc2cnc3[nH]c(-c4ccccc4)cc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
KDR P35968 2/20 0.50
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KIT P10721 4/20 0.43
BRAF P15056 1/20 0.41
MAPK14 Q16539 2/20 0.41
MCHR1 Q99705 1/20 0.41
ULK1 O75385 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TTK P33981 1/20 0.40
GABRA5 P31644 1/20 0.40
SMYD3 Q9H7B4 2/20 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
SCHEMBL885701 0.92 RIPK1 (0.52) RIPK1KDRHDAC1HDAC8HDAC6
SCHEMBL2060255 0.89 RIPK1 (0.47) RIPK1KDRMAPK14MCHR1ULK1
SCHEMBL2060127 0.89 KDR (0.54) RIPK1KDRHDAC1HDAC8HDAC6
SCHEMBL885586 0.88 KIT (0.50) RIPK1KDRHDAC1HDAC8HDAC6
SCHEMBL885848 0.86 RIPK1 (0.47) RIPK1KDRHDAC1HDAC8HDAC6
SCHEMBL885792 0.85 HDAC1 (0.43) RIPK1KDRHDAC1MAPK14MCHR1
SCHEMBL885592 0.85 KDR (0.48) RIPK1KDRHDAC1HDAC8HDAC6
SCHEMBL885866 0.82 RIPK1 (0.51) RIPK1KDRKITBRAFMCHR1
SCHEMBL885846 0.80 KDR (0.41) RIPK1KDRHDAC1HDAC8HDAC6
SCHEMBL2060043 0.78 RIPK1 (0.52) RIPK1KITBRAFMCHR1ULK1

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 15 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 claimed
CN-101600714-B Novel pyrindole kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-08-21 CN claimed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US claimed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US claimed
CN-101600714-A Novel kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN claimed
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-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US 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
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 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
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 RIPK1 850/4885KDR 5/4885HDAC1 789/4885

“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.