SCHEMBL3458185

SCHEMBL3458185

CCOC(=O)n1nc(NC(=O)N2CCCCC2)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.35
ABL1 P00519 2/20 0.34
RIN1 Q13671 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
CASP1 P29466 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3331339 0.86 C5AR1 (0.34) ADORA1C5AR1
SCHEMBL5110356 0.85 NPC1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19312086 0.84 C5AR1 (0.35) ADORA1C5AR1
SCHEMBL19305433 0.83 C5AR1 (0.33) C5AR1
SCHEMBL24272891 0.82 C5AR1 (0.32) C5AR1
SCHEMBL17724526 0.82 C5AR1 (0.32) C5AR1
SCHEMBL23837253 0.81 C5AR1 (0.33) C5AR1
SCHEMBL17724547 0.81 C5AR1 (0.31) C5AR1
SCHEMBL23837255 0.80 C5AR1 (0.33) C5AR1
SCHEMBL16622327 0.79 C5AR1 (0.37) ADORA1C5AR1

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
EP-1575954-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-09-21 EP disclosed
WO-2004056827-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-07-08 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 (4 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-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 RAB9A 1247/4885NPC1 4418/4885ALDH1A1 1596/4885
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 RAB9A 1247/4885NPC1 4418/4885ALDH1A1 1596/4885
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors CCNI, CDK1, CDK2 RAB9A 1247/4885NPC1 4418/4885ALDH1A1 1596/4885
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 RAB9A 1247/4885NPC1 4418/4885ALDH1A1 1596/4885

“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.