SCHEMBL14418845

SCHEMBL14418845

Cc1cnn2c(NCCNC(=O)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3O)nc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SLC16A3 O15427 1/20 0.41
▸ AHR P35869 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ KISS1R Q969F8 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TTK P33981 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
SCHEMBL14607070 0.95 DRD2 (0.43) ALDH1A1MAPTMAPK1SLC16A3SMN1; SMN2
SCHEMBL14043195 0.84 NTRK1 (0.41) ALDH1A1MAPTMAPK1AHRSMN1; SMN2
SCHEMBL14545972 0.84 GSK3B (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2CDK2
SCHEMBL14581637 0.84 CDK2 (0.49) CCNE1CDK2GSK3B
SCHEMBL14418855 0.83 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14043329 0.81 KISS1R (0.38) CCNE1CDK2IKBKBKISS1RGSK3B
SCHEMBL14418776 0.81 KMT2A (0.42) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL13288754 0.80 CDK2 (0.45) MAPTSLC16A3SMN1; SMN2NPC1RAB9A
SCHEMBL13120304 0.80 CDK2 (0.58) CCNE1CDK2GSK3B
SCHEMBL12954520 0.79 GSK3B (0.43) MAPTSMN1; SMN2NPC1RAB9ACDK2

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 2518/4885MAPT 3326/4885MAPK1 235/4885

“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.

Send feedback