SCHEMBL12846922

SCHEMBL12846922

Bc1ccc2nc(C)n(C(Cc3ccccc3)c3ccccc3)c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TUBB4A P04350 2/20 0.36
▸ TUBB P07437 2/20 0.36
▸ TUBA3C P0DPH7 2/20 0.36
▸ TUBA1B P68363 2/20 0.36
▸ TUBA4A P68366 2/20 0.36
▸ TUBB4B P68371 2/20 0.36
▸ TUBB3 Q13509 2/20 0.36
▸ TUBB2A Q13885 2/20 0.36
▸ TUBB8 Q3ZCM7 2/20 0.36
▸ TUBA3E Q6PEY2 2/20 0.36
▸ TUBA1A Q71U36 2/20 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
SCHEMBL12788809 0.87 KMT2A (0.45) MEN1KMT2ACYP2C19CYP1A2CYP2D6
SCHEMBL12788356 0.87 KDM4E (0.49) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL12847376 0.86 KMT2A (0.40) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL12788348 0.85 PDE3B (0.41) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL12847203 0.85 MEN1 (0.37) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL12846921 0.84 KDM4E (0.39) MEN1KMT2ACYP1A2POLBKDM4E
SCHEMBL13564427 0.83 KMT2A (0.47) MEN1KMT2ACYP2C19POLBKDM4E
SCHEMBL12789340 0.83 MEN1 (0.55) MEN1KMT2APOLBALDH1A1
SCHEMBL12789849 0.82 DHFR (0.36) MEN1KMT2APOLBALDH1A1
SCHEMBL12846924 0.81 KDM4E (0.37) MEN1KMT2ACYP1A2POLBKDM4E

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 2 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

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 MEN1 3069/4885KMT2A 3444/4885CYP2C19 182/4885

“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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