SCHEMBL4303555

SCHEMBL4303555

NC1(c2cncc(Cl)n2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.41
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NSD2 O96028 1/20 0.31

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
SCHEMBL29369238 0.73 AKR1C1 (0.40) CDK2MEN1ALDH1A1KMT2A
SCHEMBL31605040 0.69 HSP90AA1 (0.37)
SCHEMBL22758535 0.66 OPRM1 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL20754036 0.64 KDM4E (0.44) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL138054 0.64
SCHEMBL19779498 0.63 HSP90AA1 (0.38) NSD2
SCHEMBL31294822 0.63 TSHR (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2392603 0.63 TSHR (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL31294813 0.63
SCHEMBL21329911 0.62 CDK2 (0.32) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 CDK2 67/4885KDM4E 1310/4885MEN1 3321/4885

“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.