SCHEMBL12788560

SCHEMBL12788560

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ MAT2A P31153 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ C1R P00736 2/20 0.38
▸ KRAS P01116 2/20 0.38
▸ SOS1 Q07889 2/20 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
SCHEMBL12788663 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ELMNACYP1A2
SCHEMBL12789552 0.82 KDM4E (0.46) ALDH1A1L3MBTL1KDM4ELMNACYP1A2
SCHEMBL12788672 0.81 TACR1 (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL12788398 0.81 LMNA (0.45) ALDH1A1L3MBTL1KDM4ELMNACYP1A2
SCHEMBL12788750 0.81 CTSD (0.41) CTSDALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL12846928 0.81 KDM4E (0.41) ALDH1A1L3MBTL1KDM4ELMNACYP1A2
SCHEMBL12788449 0.80 MAOB (0.44) KDM4E
SCHEMBL13250425 0.80 PDE2A (0.41) ALDH1A1L3MBTL1KRASSOS1MEN1
SCHEMBL12788721 0.80 KDM4C (0.41) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL12788591 0.79 PTGFR (0.41) ALDH1A1L3MBTL1KDM4EGLAMEN1

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 CTSD 2844/4885ALDH1A1 833/4885L3MBTL1 4270/4885

“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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