SCHEMBL559448

SCHEMBL559448

O=C(NCC1CCCCO1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 9/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PSMD14 O00487 1/20 0.45
STAMBP O95630 1/20 0.45
COPS5 Q92905 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL10166431 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2262518 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL559679 0.97 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2258173 0.97 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10166419 0.97 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2259647 0.91 MAPK1 (0.44) MAPK1NPC1RAB9ACCNE1CDK2
SCHEMBL559677 0.91 MAPK1 (0.44) MAPK1NPC1RAB9ACCNE1CDK2
SCHEMBL10166423 0.91 MAPK1 (0.44) MAPK1NPC1RAB9ACCNE1CDK2
SCHEMBL2257569 0.84 MAPK1 (0.46) MAPK1CCNE1CDK2NAMPT
SCHEMBL558837 0.84 MAPK1 (0.46) MAPK1CCNE1CDK2NAMPT

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 MEN1 2633/4885KMT2A 1703/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MEN1 2633/4885KMT2A 1703/4885ALDH1A1 1098/4885

“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.