SCHEMBL3485261

SCHEMBL3485261

CN1CCN(c2ccc(C(=O)Nc3nn(OC(=O)C(F)(F)F)c4c3CN(C(=O)Nc3cccnc3Cl)C4(C)C)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
TNIK Q9UKE5 2/20 0.38
F10 P00742 6/20 0.36
KIT P10721 4/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
FLT3 P36888 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
AURKC Q9UQB9 1/20 0.35
PRKCB P05771 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL1982775 0.87 F10 (0.39) NTRK1NTRK3NTRK2F10KIT
SCHEMBL3485523 0.83 NTRK1 (0.39) NTRK1NTRK3NTRK2F10KIT
SCHEMBL3485360 0.82 NTRK1 (0.38) NTRK1NTRK3NTRK2F10KIT
SCHEMBL1982838 0.82 NTRK1 (0.44) NTRK1NTRK3NTRK2F10KIT
SCHEMBL3485222 0.81 NTRK1 (0.39) NTRK1NTRK3NTRK2KITCCNA2
Trifluoroacetic Acid SCHEMBL3485257 0.81 CCNA2 (0.54) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL1984517 0.69 CDK2 (0.60) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL1984361 0.69 NTRK1 (0.61) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL1986950 0.69 CCNA2 (0.59) NTRK1NTRK3NTRK2CCNA2CDK2
SCHEMBL13518286 0.68 CDK2 (0.41) NTRK1NTRK3NTRK2F10KIT

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
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US claimed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US claimed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP claimed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 WO claimed
US-8623876-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-07 US disclosed
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 US disclosed
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US disclosed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US disclosed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP disclosed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 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 (2 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-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NTRK1 1290/4885NTRK3 1078/4885NTRK2 2021/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NTRK1 1290/4885NTRK3 1078/4885NTRK2 2021/4885

“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.