SCHEMBL5756104

SCHEMBL5756104

CC(O)Nc1ccnc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ACHE P22303 5/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ SORD Q00796 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1774897 0.85 GAA (0.42) GRM5ESR1MAPK14GAATDP1
SCHEMBL21550282 0.83 ESR1 (0.35) GRM5ESR1ACHEMAPK14JAK2
SCHEMBL20685774 0.83 MAPK14 (0.42) GRM5ESR1MAPK14
SCHEMBL14555163 0.80 KDM4C (0.46) GRM5TRPV1ACHE
SCHEMBL20612065 0.79 HCAR3 (0.43) ESR1MAPK14TDP1
SCHEMBL11306797 0.79 CCR4 (0.34) GRM5ESR1ACHEJAK2JAK3
SCHEMBL28277650 0.79 HCAR3 (0.43) ESR1MAPK14TDP1
SCHEMBL20956373 0.77 CCR4 (0.36) GRM5ESR1HTR7
SCHEMBL19402182 0.77 CFD (0.40) GRM5SYK
SCHEMBL20677070 0.77 CFD (0.40) GRM5SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910159-A 2,4-diaminopyrimidines and their use for inducing cardiomyogenesis NOVARTIS AG (CH) 2007-02-07 — — CN disclosed
EP-1727806-A1 2,4-DIAMINOPYRIMIDINES AND THEIR USE FOR INDUCING CARDIOMYOGENESIS Novartis AG (CH) 2006-12-06 — — EP disclosed
US-20050209231-A1 Compositions and methods for inducing cardiomyogenesis SCRIPPS RESEARCH INSTITUTE, THE 2005-09-22 — — US disclosed
WO-2005068437-A1 2, 4 - DIAMINOPYRIMIDINES AND THEIR USE FOR INDUCING CARDIOMYOGENESIS NOVARTIS AG (CH) 2005-07-28 — — WO 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-20050209231-A1 Compositions and methods for inducing cardiomyogenesis TNNI3, MYLK2, TNNC1 GRM5 3791/4885TRPV1 4200/4885ESR1 3792/4885

“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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