SCHEMBL12847376

SCHEMBL12847376

BNc1ccc2nc(C)n(C(Cc3ccccc3)c3ccccc3)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ DHFR P00374 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL12846922 0.86 MEN1 (0.39) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12846923 0.84 KDM4E (0.42) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12788809 0.83 KMT2A (0.45) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL12788356 0.83 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12788535 0.81 ACSS2 (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12788348 0.81 PDE3B (0.41) KMT2AMEN1ALDH1A1DHFRRAB9A
SCHEMBL12847203 0.81 MEN1 (0.37) KMT2AMEN1KDM4ENPC1MAPT
SCHEMBL12789340 0.80 MEN1 (0.55) KMT2AMEN1ALDH1A1NPC1DHFR
SCHEMBL12847377 0.78 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12789849 0.78 DHFR (0.36) KMT2AMEN1ALDH1A1DHFRPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 3444/4885MEN1 3069/4885ALDH1A1 833/4885

“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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