SCHEMBL13089693

SCHEMBL13089693

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)N3CCN(c4ccccn4)CC3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
GRM5 P41594 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
SCHEMBL3070457 0.89 MEN1 (0.49) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL3050550 0.88 MEN1 (0.48) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL3070976 0.83 TP53 (0.37) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL3065201 0.81 TP53 (0.45) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL3069659 0.76 TP53 (0.45) MEN1KMT2APOLB
SCHEMBL3068679 0.75 GLP1R (0.40) HPGDKMT2AGRM5
SCHEMBL3069949 0.73 TP53 (0.35)
SCHEMBL3065708 0.73 CNR2 (0.40) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL3064126 0.72 BRD4 (0.35)
SCHEMBL3070814 0.71 APP (0.34)

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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 HPGD 2261/4885MEN1 3395/4885KMT2A 1769/4885

“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.