SCHEMBL12788441

SCHEMBL12788441

Cc1nc2cc(N(C)Cc3ccccc3)ccc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC16A3 O15427 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ DHFR P00374 2/20 0.36
▸ APP P05067 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL12788421 0.92 IP6K1 (0.50) IP6K1ERAP1MEN1KMT2ASLC16A3
SCHEMBL12788384 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1RAB9AAPPKDM4E
SCHEMBL12788734 0.84 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPK1RAB9A
SCHEMBL12788419 0.83 ELANE (0.43) MEN1KMT2AALDH1A1MAPK1RAB9A
SCHEMBL12788494 0.83 IP6K1 (0.41) IP6K1DHFR
SCHEMBL12789907 0.82 ALDH1A1 (0.39) KMT2AALDH1A1MAPK1RAB9AKDM4E
SCHEMBL12788508 0.82 DHFR (0.41) IP6K1MEN1KMT2AALDH1A1MAPK1
SCHEMBL12788856 0.81 MAPT (0.53) MEN1KMT2AALDH1A1RAB9A
SCHEMBL12846932 0.81 DHFR (0.39) IP6K1MEN1KMT2AALDH1A1MAPK1
SCHEMBL12788544 0.81 DHFR (0.41) IP6K1MEN1KMT2ADHFR

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 IP6K1 2314/4885ERAP1 2235/4885MEN1 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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