SCHEMBL3485618

SCHEMBL3485618

CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)O)C4(C)C)cc2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
WDR5 P61964 2/20 0.42
FLT3 P36888 3/20 0.40
CCNA2 P20248 4/20 0.40
CDK2 P24941 4/20 0.40
CCNA1 P78396 4/20 0.40
IGF1R P08069 1/20 0.39
PRKCB P05771 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL1989534 0.86 JAK2 (0.40) KDM4EALDH1A1HSD17B10WDR5FLT3
SCHEMBL3485502 0.85 FLT3 (0.49) FLT3CCNA2CDK2CCNA1NPC1
SCHEMBL1983212 0.74 AURKA (0.60) FLT3NPC1NTRK1NTRK3NTRK2
SCHEMBL3456842 0.73 CCNA2 (0.70) CCNA2CDK2CCNA1PRKCBNTRK1
SCHEMBL1984817 0.72 NTRK1 (0.47) FLT3CCNA2CDK2CCNA1PRKCB
SCHEMBL3485388 0.72 NTRK1 (0.58) FLT3CCNA2CDK2CCNA1IGF1R
SCHEMBL1985453 0.72 FLT3 (0.47) FLT3CCNA2CDK2CCNA1NTRK1
SCHEMBL1984971 0.72 NTRK1 (0.52) FLT3CCNA2CDK2CCNA1IGF1R
SCHEMBL1984697 0.71 NTRK1 (0.52) FLT3CCNA2CDK2CCNA1IGF1R
SCHEMBL5097963 0.70 CCNA2 (0.68) CCNA2CDK2CCNA1

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 4 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

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 KDM4E 959/4885ALDH1A1 2638/4885HSD17B10 3586/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 KDM4E 959/4885ALDH1A1 2638/4885HSD17B10 3586/4885

“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.