SCHEMBL14581256

SCHEMBL14581256

Bc1cnn2c(NCc3cccc(NC(=O)c4ccc(C#N)cc4)c3)cc(-c3ccccc3O)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ KISS1R Q969F8 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CDK2 P24941 2/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ RET P07949 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38

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
SCHEMBL13288663 0.92 CDK2 (0.47) AURKAAURKBMEN1NPC1RAB9A
SCHEMBL14613482 0.87 GSK3B (0.42) MEN1KMT2AGSK3BCDK2CCNE1
SCHEMBL13288665 0.85 CDK2 (0.46) GSK3BCDK2ROCK2ACKR3
SCHEMBL14613477 0.85 KCNK3 (0.42) GSK3BCDK2CCNE1RETKDR
SCHEMBL14051031 0.85 KCNK3 (0.42) GSK3BCDK2CCNE1RETKDR
SCHEMBL14613329 0.84 NFATC1 (0.50) AURKANPC1RAB9AGSK3BCDK2
SCHEMBL13119679 0.84 CDK2 (0.58) AURKAAURKBGSK3BCDK2CCNE1
SCHEMBL14051030 0.84 MAPT (0.42) KISS1RMEN1NPC1RAB9AKMT2A
SCHEMBL14613333 0.84 EPHB4 (0.45) AURKAABL1PDGFRBKDRRXFP1
SCHEMBL13289326 0.84 CDK2 (0.47) AURKAAURKBMEN1NPC1KMT2A

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-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed
US-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — 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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A AURKA 99/4885AURKB 95/4885KISS1R 2371/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A AURKA 99/4885AURKB 95/4885KISS1R 2371/4885

“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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