SCHEMBL3503576

SCHEMBL3503576

CCOC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c1CC/C(=C/N(C)C)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 3/20 0.43
CDK4 P11802 2/20 0.43
CCND3 P30281 2/20 0.43
CDK6 Q00534 1/20 0.43
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ELANE P08246 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTT P42858 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
SCHEMBL3503578 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4158565 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL10216330 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4158563 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4150890 0.85 CDK4 (0.44) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4150892 0.85 CDK4 (0.44) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4159863 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4159862 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4157131 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL4157126 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTP53CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614220-B2 Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-24 US disclosed
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 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 (1 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-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3110/4885KDM4E 872/4885HPGD 1606/4885

“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.