SCHEMBL5122233

SCHEMBL5122233

C#Cc1ccsc1-c1nc2cnccn2c1NC(C)c1ccccc1.c1cc2cc-2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
GAA P10253 9/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
BRAF P15056 2/20 0.40
MAPK1 P28482 2/20 0.40
NR1H4 Q96RI1 2/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL5121490 0.87 BRAF (0.37) BRD4GAAKDM4ELMNABRAF
SCHEMBL5129230 0.87 NR1H4 (0.44) BRD4GAAKDM4ELMNANR1H4
SCHEMBL5113515 0.86 GAA (0.41) GAAKDM4ELMNABRAFMAPK1
SCHEMBL5121032 0.84 CDK9 (0.41) BRD4GAAKDM4ELMNABRAF
SCHEMBL5128154 0.83 NR1H4 (0.59) GAAKDM4ENR1H4TP53ALDH1A1
SCHEMBL5118759 0.83 CDK9 (0.41) BRD4GAAKDM4ELMNABRAF
SCHEMBL5127406 0.83 SALL4 (0.46) BRD4GAAKDM4ELMNABRAF
SCHEMBL5130362 0.82 CDK9 (0.57) BRD4GAAKDM4EBRAFNR1H4
SCHEMBL5129311 0.82 PLAU (0.42) BRD4GAAKDM4ELMNABRAF
SCHEMBL5116602 0.82 GAA (0.40) GAAKDM4ELMNANR1H4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS BRD4 83/4885GAA 234/4885KDM4E 1336/4885

“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.