SCHEMBL559677

SCHEMBL559677

O=C(NCCC1CCCCO1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.44
CCNE1 P24864 6/20 0.44
CDK2 P24941 6/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL10166423 1.00 MAPK1 (0.44) MAPK1CCNE1CDK2NPC1RAB9A
SCHEMBL2259647 1.00 MAPK1 (0.44) MAPK1CCNE1CDK2NPC1RAB9A
SCHEMBL2262518 0.91 MEN1 (0.50) MAPK1CCNE1CDK2NPC1RAB9A
SCHEMBL559448 0.91 MEN1 (0.50) MAPK1CCNE1CDK2NPC1RAB9A
SCHEMBL10166431 0.91 MEN1 (0.50) MAPK1CCNE1CDK2NPC1RAB9A
SCHEMBL559679 0.88 KMT2A (0.54) NPC1RAB9A
SCHEMBL2258173 0.88 KMT2A (0.54) NPC1RAB9A
SCHEMBL10166419 0.88 KMT2A (0.54) NPC1RAB9A
SCHEMBL2258872 0.84 CCNE1 (0.47) MAPK1CCNE1CDK2
SCHEMBL559845 0.84 CCNE1 (0.47) MAPK1CCNE1CDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885CCNE1 523/4885CDK2 125/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885CCNE1 523/4885CDK2 125/4885

“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.