SCHEMBL14418855

SCHEMBL14418855

Cc1cnn2c(NCCNC(=O)c3cccs3)cc(-c3ccccc3O)nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GRK2 P25098 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KISS1R Q969F8 7/20 0.44
▸ CFTR P13569 1/20 0.43
▸ GFER P55789 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ OPRM1 P35372 3/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ CCKBR P32239 1/20 0.39

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
SCHEMBL14418776 0.85 KMT2A (0.42) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL14418772 0.84 KISS1R (0.44) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL14613336 0.84 KDM4E (0.46) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL14418845 0.83 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL13120219 0.80 CDK2 (0.58) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL12954520 0.79 GSK3B (0.43) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL14050826 0.79 EPHX1 (0.46) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL14043195 0.79 NTRK1 (0.41) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL14418659 0.78 MAPT (0.40) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL14607070 0.78 DRD2 (0.43) ALDH1A1NPC1RAB9AMEN1MAPT

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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 ALDH1A1 2518/4885NPC1 4113/4885RAB9A 3262/4885

“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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