SCHEMBL12847202

SCHEMBL12847202

BN(C)c1ccc2nc(C)n(C(c3ccccc3)c3ccccc3)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ IDO2 Q6ZQW0 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12788332 0.90 PDE3B (0.46) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL12788546 0.88 ALDH1A1 (0.37) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL12788595 0.86 POLB (0.43) ALDH1A1MAPK1RAB9AKDM4EPOLB
SCHEMBL12846932 0.86 DHFR (0.39) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL12788512 0.86 KDM4E (0.41) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL12788643 0.86 ALDH1A1 (0.37) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL12788525 0.86 KDM4E (0.41) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL12788806 0.85 POLB (0.42) ALDH1A1MAPK1RAB9AKDM4EPOLB
SCHEMBL12847379 0.85 POLB (0.42) ALDH1A1MAPK1RAB9AKDM4EPDE3B
SCHEMBL13564458 0.85 DHFR (0.39) ALDH1A1MAPK1RAB9AKDM4EPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 ALDH1A1 833/4885MAPK1 1023/4885RAB9A 1094/4885

“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.

Send feedback