SCHEMBL4265282

SCHEMBL4265282

NC1Nc2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.39
BRPF1 P55201 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GFER P55789 1/20 0.38
NOS2 P35228 4/20 0.37
IDO1 P14902 2/20 0.36
BRD4 O60885 4/20 0.35
EP300 Q09472 1/20 0.35
NPC1 O15118 1/20 0.33
KDM1A O60341 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL1075473 0.78 TNKS2 (0.55) GAAMAPTMEN1KMT2ATNKS2
SCHEMBL17376745 0.73 CREBBP (0.42) CREBBPBRPF1GAAMAPTMEN1
SCHEMBL6831860 0.73 HTR2A (0.35) MAPTMEN1KMT2AIDO1KDM1A
SCHEMBL31145667 0.71 MEN1 (0.40) GAAMAPTMEN1KMT2AALOX15
SCHEMBL3468367 0.71 MEN1 (0.40) GAAMAPTMEN1KMT2AALOX15
SCHEMBL6834602 0.69 KDM1A (0.35) CREBBPBRPF1GAAMAPTMEN1
SCHEMBL23260314 0.69
SCHEMBL12379793 0.69 HTR2A (0.41) CREBBPBRPF1GAAMAPTMEN1
SCHEMBL8279432 0.69 CREBBP (0.50) CREBBPBRPF1GAAMAPTMEN1
SCHEMBL12841651 0.69 CREBBP (0.39) CREBBPBRPF1GAAMAPTMEN1

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
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US disclosed
CN-1100535-C Pharmaceutical agents for treatment of emesis PFIZER (US) 2003-02-05 CN disclosed
CN-1132072-A NK-1 receptor antagonists for the treatment of nerve injury and stroke PFIZER (US) 1996-10-02 CN disclosed
CN-1121806-A Pharmaceutical agents for treatment of emesis PFIZER (US) 1996-05-08 CN 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-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 CREBBP 1092/4885BRPF1 1959/4885GAA 3197/4885

“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.