SCHEMBL14516144

SCHEMBL14516144

O=C(Nc1cc(C2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ GSK3B P49841 4/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL14516145 1.00 CDK1 (0.40) CDK1CDK2CDK9CDK5GSK3B
SCHEMBL11931184 0.85 HDAC1 (0.40) MAP3K5HTTMAPK1HDAC1KDM4E
SCHEMBL11931181 0.85 HDAC1 (0.40) MAP3K5HTTMAPK1HDAC1KDM4E
SCHEMBL11931186 0.83 GSK3B (0.51) CDK2GSK3BMAP3K5HTTMAPK1
SCHEMBL13901577 0.82 NTRK1 (0.41) GSK3BMAP3K5HTTMAPK1HDAC1
SCHEMBL11931185 0.80 GSK3B (0.54) CDK2GSK3B
SCHEMBL11935123 0.80 HTT (0.45) MAP3K5HTTMAPK1HDAC1KDM4E
SCHEMBL11931154 0.80 NPC1 (0.43) MAP3K5HTTMAPK1HDAC1KDM4E
SCHEMBL14395351 0.80 HDAC1 (0.46) MAP3K5HTTMAPK1HDAC1KDM4E
SCHEMBL14395118 0.80 PDE2A (0.41) GSK3BMAP3K5HTTMAPK1HDAC1

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-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — US disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CDK1 38/4885CDK2 64/4885CDK9 117/4885

“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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