SCHEMBL14307169

SCHEMBL14307169

Cc1cnn2c(NCCNC(=O)Nc3ccc(C#N)cc3)cc(-c3ccccc3O)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NAMPT P43490 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ IKBKB O14920 2/20 0.36
▸ RORC P51449 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CSNK2A1 P68400 2/20 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
SCHEMBL14418659 0.89 MAPT (0.40) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12954520 0.82 GSK3B (0.43) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14043195 0.82 NTRK1 (0.41) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL13121874 0.82 CDK2 (0.54) CNR1CDK2GSK3B
SCHEMBL14043342 0.81 MARS1 (0.40) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL14050826 0.79 EPHX1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14307168 0.78 CDK2 (0.49) SMN1; SMN2CNR1MAPTCDK2GSK3B
SCHEMBL13121813 0.77 CDK2 (0.53) CNR1CSNK2A1CDK2GSK3B
SCHEMBL14418784 0.77 GSK3B (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14613288 0.76 KMT2A (0.43) SMN1; SMN2MAPTMEN1KMT2A

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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A ALDH1A1 2851/4885LMNA 1706/4885SMN1; SMN2 2337/4885

“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.

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