SCHEMBL12788384

SCHEMBL12788384

Cc1nc2cc(N(C)C)ccc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ELANE P08246 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TACR3 P29371 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ABCC1 P33527 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TERT O14746 1/20 0.36
▸ APP P05067 1/20 0.36
▸ PMM2 O15305 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ PHOSPHO1 Q8TCT1 1/20 0.36

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 0.91 PDE3B (0.46) ALDH1A1MAPK1RAB9AELANEKDM4E
SCHEMBL12788734 0.90 ALDH1A1 (0.39) ALDH1A1MAPK1RAB9AKDM4EPOLB
SCHEMBL12789907 0.88 ALDH1A1 (0.39) ALDH1A1MAPK1RAB9AKDM4EPOLB
SCHEMBL12788419 0.87 ELANE (0.43) ALDH1A1MAPK1RAB9AELANEKDM4E
SCHEMBL12788737 0.86 L3MBTL1 (0.41) ALDH1A1MAPK1RAB9AKDM4EPOLB
SCHEMBL12788441 0.86 IP6K1 (0.44) ALDH1A1MAPK1RAB9AKDM4EAPP
SCHEMBL12788739 0.84 KDM4C (0.37) ALDH1A1MAPK1RAB9AKDM4EPOLB
SCHEMBL12788663 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBCYP1A2
SCHEMBL12789552 0.83 KDM4E (0.46) ALDH1A1ELANEKDM4EPOLBCYP1A2
SCHEMBL12788596 0.83 ALOX12 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297117-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US disclosed
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.

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