SCHEMBL5122899

SCHEMBL5122899

Cc1cc(C)n2c(NC(C)c3ccccc3)c(-c3ccc(C#Cc4ccccc4)s3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
PKM P14618 2/20 0.35
PKLR P30613 2/20 0.35
PLK1 P53350 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.31
BRD4 O60885 1/20 0.31
GAA P10253 1/20 0.31
LCK P06239 1/20 0.30
CREBBP Q92793 1/20 0.30
GRM5 P41594 1/20 0.30
KCNN3 Q9UGI6 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
SCHEMBL5129222 0.85 NR1H4 (0.46) NR1H4PKMPKLRSMN1; SMN2POLB
SCHEMBL5128146 0.82 NR1H4 (0.64) NR1H4PKMPKLRSMN1; SMN2MAPT
SCHEMBL5120861 0.78 MAPT (0.35) NR1H4PKMPKLRSMN1; SMN2POLB
SCHEMBL5127369 0.78 NR1H4 (0.41) NR1H4PKMPKLRSMN1; SMN2POLB
SCHEMBL5121816 0.78 PKM (0.43) PKMPKLRSMN1; SMN2POLBMAPT
SCHEMBL5124135 0.78 MEN1 (0.36) NR1H4PKMPKLRSMN1; SMN2POLB
SCHEMBL5122230 0.77 BRD4 (0.51) NR1H4SMN1; SMN2MAPTBRD4GAA
SCHEMBL5122911 0.76 NR1H4 (0.44) NR1H4SMN1; SMN2POLBMAPTGAA
SCHEMBL5116591 0.76 GAA (0.49) NR1H4PKMPKLRSMN1; SMN2POLB
SCHEMBL5127878 0.76 MAPK14 (0.41) NR1H4PKMSMN1; SMN2MAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2683/4885PKM 196/4885PKLR 1514/4885

“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.