SCHEMBL885701

SCHEMBL885701

O=C(NC1CC1)c1ccc(F)c(NCc2cnc3[nH]c(-c4cccnc4)cc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
KDR P35968 2/20 0.47
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
SMO Q99835 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
DRD4 P21917 1/20 0.40
WNT1 P04628 2/20 0.40
DYRK1A Q13627 2/20 0.40
HDAC1 Q13547 2/20 0.39
VNN1 O95497 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
CCNT1 O60563 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KIT P10721 2/20 0.39
THRB P10828 1/20 0.39
CRHR1 P34998 1/20 0.38
GABRA5 P31644 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
SCHEMBL2060044 0.92 RIPK1 (0.51) RIPK1KDRMAPK14SMYD3HDAC1
SCHEMBL2060127 0.86 KDR (0.54) RIPK1KDRMAPK14MAPK11DRD4
SCHEMBL2060255 0.85 RIPK1 (0.47) RIPK1KDRMAPK14MAPK11SMYD3
SCHEMBL885792 0.82 HDAC1 (0.43) RIPK1KDRMAPK14HDAC1GABRA5
SCHEMBL885592 0.82 KDR (0.48) RIPK1KDRMAPK14SMYD3HDAC1
SCHEMBL885848 0.81 RIPK1 (0.47) RIPK1KDRMAPK14MAPK11SMYD3
SCHEMBL885586 0.80 KIT (0.50) RIPK1KDRHDAC1HDAC6HDAC8
SCHEMBL885700 0.79 RIPK1 (0.53) RIPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL885846 0.76 KDR (0.41) RIPK1KDRMAPK14MAPK11SMYD3
SCHEMBL2060020 0.75 KDR (0.47) KDRMAPK14MAPK13MAPK12MAPK11

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 14 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-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP claimed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO 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-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
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 5/4885MAPK14 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.