SCHEMBL12788348

SCHEMBL12788348

Cc1nc2ccc(N(C)C)cc2c(=O)n1C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DHFR P00374 4/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ ABCC1 P33527 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PLK1 P53350 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
SCHEMBL12789849 0.89 DHFR (0.36) ALDH1A1DHFRMEN1KMT2AIP6K1
SCHEMBL12788804 0.88 POLB (0.39) IDO1TDO2IDO2DHFRSLC6A3
SCHEMBL12846922 0.85 MEN1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12788356 0.84 KDM4E (0.49) ALDH1A1DHFRMEN1KMT2ACYP1A2
SCHEMBL12788809 0.84 KMT2A (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL12788332 0.83 PDE3B (0.46) PDE3BPDE3AIDO1TDO2IDO2
SCHEMBL12847203 0.82 MEN1 (0.37) MAPK1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12847376 0.81 KMT2A (0.40) ALDH1A1RAB9ADHFRMEN1KMT2A
SCHEMBL12789340 0.81 MEN1 (0.55) ALDH1A1DHFRMEN1KMT2A
SCHEMBL12788483 0.80 PDE3B (0.45) 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 PDE3B 644/4885PDE3A 1017/4885IDO1 1580/4885

“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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