SCHEMBL2060127

SCHEMBL2060127

O=C(NC1CC1)c1ccc(F)c(NCc2cnc3[nH]c(-c4ccccn4)cc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
RIPK1 Q13546 1/20 0.46
MAPK14 Q16539 2/20 0.42
MAPK11 Q15759 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 3/20 0.39
MCHR1 Q99705 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TGFBR1 P36897 1/20 0.38
CCNT1 O60563 1/20 0.38
GABRA5 P31644 1/20 0.38
DRD4 P21917 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL885848 0.91 RIPK1 (0.47) KDRRIPK1MAPK14MAPK11HDAC1
SCHEMBL2060044 0.89 RIPK1 (0.51) KDRRIPK1MAPK14HDAC1HDAC8
SCHEMBL885701 0.86 RIPK1 (0.52) KDRRIPK1MAPK14MAPK11HDAC1
SCHEMBL885846 0.85 KDR (0.41) KDRRIPK1MAPK14MAPK11HDAC1
SCHEMBL885592 0.83 KDR (0.48) KDRRIPK1MAPK14HDAC1HDAC8
SCHEMBL2060255 0.82 RIPK1 (0.47) KDRRIPK1MAPK14MAPK11MCHR1
SCHEMBL2060124 0.79 RIPK1 (0.47) KDRRIPK1MAPK14MAPK11GRM5
SCHEMBL885792 0.78 HDAC1 (0.43) KDRRIPK1MAPK14HDAC1MCHR1
SCHEMBL10082850 0.78 KDR (0.53) KDRMAPK14MAPK11HDAC1HDAC8
SCHEMBL885586 0.77 KIT (0.50) KDRRIPK1HDAC1HDAC8HDAC6

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 10 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
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
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP 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
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 5/4885RIPK1 850/4885MAPK14 229/4885

“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.