SCHEMBL3468583

SCHEMBL3468583

CCOC(=O)n1nc(NC(=O)Nc2cccc(F)c2)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
DDX3X O00571 1/20 0.39
KCNJ6 P48051 4/20 0.38
KCNJ5 P48544 4/20 0.38
KCNJ3 P48549 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MTOR P42345 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GBA1 P04062 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
C5AR1 P21730 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3457275 0.82 CDK2 (0.47) CCNA2CDK2CCNA1MAPTALDH1A1
SCHEMBL17872165 0.81 C5AR1 (0.38) MKNK1C5AR1
SCHEMBL3331339 0.80 C5AR1 (0.34) CCNA2CDK2CCNA1C5AR1
SCHEMBL17872111 0.79 KMT2A (0.40) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19312086 0.78 C5AR1 (0.35) C5AR1
SCHEMBL597931 0.78 PAK4 (0.43)
SCHEMBL17872102 0.77 KMT2A (0.44) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL4287464 0.77 KMT2A (0.34) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4291423 0.77 BTK (0.36) CCNA2CDK2CCNA1RAB9AMAPT
SCHEMBL19305433 0.77 C5AR1 (0.33) CDK2C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
EP-1575954-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-03 EP disclosed
US-8785448-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-22 US disclosed
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US disclosed
US-8557857-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8557845-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8481585-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 US disclosed
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-10 US disclosed
EP-2266987-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors Pfizer Italia S.r.l. (IT) 2010-12-29 EP disclosed
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-26 US disclosed
US-7407971-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2008-08-05 US disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 US 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 (5 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-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885

“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.