SCHEMBL12788596

SCHEMBL12788596

Cc1nc2ccc(N(C)C)cc2c(=O)n1C(c1ccccc1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.41
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ IDO2 Q6ZQW0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ NAMPT P43490 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ TBXAS1 P24557 1/20 0.34

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) PDE3BPDE3AIDO1TDO2IDO2
SCHEMBL12788863 0.88 ALOX12 (0.41) ALOX12ALDH1A1MAPK1RAB9ANAMPT
SCHEMBL12788384 0.83 ALDH1A1 (0.46) PDE3BPDE3AALDH1A1MAPK1RAB9A
SCHEMBL12788865 0.83 KDM4C (0.36) ALOX12PDE3BPDE3AIDO1TDO2
SCHEMBL12788546 0.82 ALDH1A1 (0.37) PDE3BPDE3AIDO1TDO2IDO2
SCHEMBL12847202 0.82 ALDH1A1 (0.37) PDE3BPDE3AIDO1TDO2IDO2
SCHEMBL12788621 0.82 KDM4C (0.38) ALOX12PDE3BPDE3ASLC6A3IDO1
SCHEMBL12788529 0.81 TDO2 (0.52) PDE3BPDE3AIDO1TDO2IDO2
SCHEMBL12789090 0.81 MET (0.36) ALOX12PDE3BPDE3AIDO1TDO2
SCHEMBL12788445 0.81 IDO1 (0.43) PDE3BPDE3AIDO1TDO2IDO2

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 ALOX12 1069/4885PDE3B 644/4885PDE3A 1017/4885

“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