SCHEMBL3485502

SCHEMBL3485502

CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)O)C4(C)C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.49
AURKA O14965 6/20 0.49
KDR P35968 1/20 0.49
NTRK1 P04629 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
ACHE P22303 1/20 0.48
AURKB Q96GD4 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
ALK Q9UM73 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL1983212 0.88 AURKA (0.60) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL3485618 0.85 KDM4E (0.46) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL1984971 0.85 NTRK1 (0.52) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL1985453 0.85 FLT3 (0.47) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL3485388 0.84 NTRK1 (0.58) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL1984697 0.84 NTRK1 (0.52) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL1983315 0.82 NTRK1 (0.49) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL3812263 0.80 NTRK1 (0.48) FLT3AURKAKDRNTRK1NTRK3
SCHEMBL3456842 0.80 CCNA2 (0.70) NTRK1NTRK3NTRK2CCNA2CDK2
Formic Acid SCHEMBL1983793 0.78 NTRK1 (0.46) FLT3AURKAKDRNTRK1NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FLT3 202/4885AURKA 414/4885KDR 792/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 FLT3 202/4885AURKA 414/4885KDR 792/4885

“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.