SCHEMBL12847377

SCHEMBL12847377

BNc1ccc2nc(C)n(C(c3ccccc3)C3CC3)c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ APLNR P35414 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL12846923 0.84 KDM4E (0.42) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL12789429 0.81 KMT2A (0.42) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL12788553 0.81 PDE3B (0.41) ALDH1A1BRD4MAPK1GAAALOX15
SCHEMBL12847376 0.78 KMT2A (0.40) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL12789372 0.78 GAA (0.43) KMT2AKDM4EMEN1ALDH1A1BRD4
SCHEMBL12788405 0.77 ABCC1 (0.41) ALDH1A1BRD4MAPK1GAAALOX15
SCHEMBL12789675 0.77 POLB (0.39) KMT2AKDM4EMEN1POLBHSD17B10
SCHEMBL12788360 0.77 ABCC1 (0.42) KMT2AMEN1ALDH1A1BRD4HPGD
SCHEMBL12788568 0.76 POLB (0.39) KMT2AMEN1POLBALDH1A1BRD4
SCHEMBL12788505 0.75 IDO1 (0.39) ALDH1A1BRD4MAPK1GAARAB9A

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 3444/4885KDM4E 3477/4885MEN1 3069/4885

“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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