SCHEMBL10249322

SCHEMBL10249322

Cc1cnc2c(c1)nc(-c1ccncc1C(=O)NCC#N)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
NTRK1 P04629 1/20 0.36
CFTR P13569 5/20 0.34
PDE10A Q9Y233 1/20 0.34
JAK2 O60674 1/20 0.34
ATR Q13535 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.33
CTSB P07858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNF P01375 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ADORA2A P29274 1/20 0.33
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
PTK2 Q05397 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10252639 0.89 PDE2A (0.39) PDE10AHSD17B10SMN1; SMN2ABL1
SCHEMBL10284413 0.88 POLB (0.42) EGLN1NTRK1KMT2A
SCHEMBL10249139 0.85 PFKFB3 (0.36) PDE10AKDM4ETSHRSMN1; SMN2MEN1
SCHEMBL10249095 0.82 KDM4C (0.37) PDE10ASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10249325 0.81 CYP46A1 (0.41) PDE10AKDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL10252614 0.81 SIRT3 (0.47) PDE10AJAK2KDM4ESMN1; SMN2
SCHEMBL10249147 0.79 ALDH1A1 (0.41) PDE10AKDM4ETSHRUSP2HSD17B10
SCHEMBL10249121 0.79 PFKFB3 (0.35) PDE10ASMN1; SMN2
SCHEMBL10249120 0.78 PDE10A (0.36) PDE10AKDM4EHSD17B10SMN1; SMN2ADORA2A
SCHEMBL10284680 0.77 POLB (0.46) ABL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 EGLN1 516/4885NTRK1 1759/4885CFTR 4619/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 EGLN1 516/4885NTRK1 1759/4885CFTR 4619/4885

“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.