SCHEMBL5113724

SCHEMBL5113724

C#Cc1ccsc1-c1nc2cc(CCCc3ccccc3)ccn2c1Nc1ccc(F)cc1F.c1cc2cc-2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
ACHE P22303 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL5121637 0.83 NR1H4 (0.41) NR1H4GAAMAPTSMN1; SMN2TP53
SCHEMBL5118244 0.76 TRPA1 (0.38) GAAMAPTSMN1; SMN2TP53KDM4E
SCHEMBL5115119 0.74 BRAF (0.38) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5127031 0.73 ALDH1A1 (0.50) NR1H4GAAMAPTSMN1; SMN2TP53
SCHEMBL5128014 0.70 NR1H4 (0.49) NR1H4GAAMAPTSMN1; SMN2RAB9A
SCHEMBL5117444 0.70 NR1H4 (0.49) NR1H4GAAMAPTSMN1; SMN2RAB9A
SCHEMBL5128392 0.69 NR1H4 (0.47) NR1H4GAAMAPTSMN1; SMN2TP53
SCHEMBL5130362 0.69 CDK9 (0.57) NR1H4GAAMAPTSMN1; SMN2RAB9A
SCHEMBL5118180 0.68 TRPA1 (0.40) GAAMAPTTP53POLB
SCHEMBL5129230 0.67 NR1H4 (0.44) NR1H4GAAMAPTSMN1; SMN2TP53

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 NR1H4 2683/4885GAA 234/4885MAPT 707/4885

“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.