SCHEMBL4100509

SCHEMBL4100509

COc1ccc2nc(-c3cc(-c4ccc(N5CCN(C)CC5)nc4)cnc3N)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.57
DGAT1 O75907 2/20 0.55
SOAT1 P35610 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
SLCO2B1 O94956 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL992755 0.91 SLC2A1 (0.57) SLC2A1DGAT1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2680720 0.85 SLC2A1 (0.56) SLC2A1ATR
SCHEMBL16390771 0.84 SLC2A1 (0.54) SLC2A1DGAT1SOAT1KCNH2ALDH1A1
SCHEMBL2682065 0.82 SLC2A1 (0.67) SLC2A1KCNH2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2681696 0.82 SLC2A1 (0.59) SLC2A1ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2680558 0.81 SLC2A1 (0.66) SLC2A1ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2680312 0.81 SLC2A1 (0.66) SLC2A1KCNH2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5110951 0.80 CDK1 (0.70) SLC2A1ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2681319 0.80 FGFR1 (0.57) SLC2A1FGFR3FGFR1FGFR2
Hydrochloric Acid SCHEMBL5111336 0.79 CDK1 (0.69) SLC2A1ALDH1A1SMN1; SMN2NPC1POLB

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-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 SLC2A1 890/4885DGAT1 4667/4885SOAT1 4146/4885

“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.