SCHEMBL4144046

SCHEMBL4144046

CSc1ncc(NC(C)=O)c(Cl)n1.c1cc2cc-2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.51
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
AHR P35869 1/20 0.40

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
SCHEMBL4132373 0.81 ADORA3 (0.47) ALDH1A1RXFP1KMT2AMEN1MAPT
SCHEMBL4132401 0.80 ADORA3 (0.43) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL4132353 0.80 PIK3C3 (0.40) ALDH1A1MAPTKDM4ENPC1POLB
SCHEMBL4144446 0.74 ADORA3 (0.48) NTRK1ALDH1A1RXFP1KMT2AMEN1
SCHEMBL4144040 0.73 LMNA (0.54) NTRK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL23331258 0.71 PTK2 (0.43) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL11375967 0.69 KMT2A (0.42) NTRK1ALDH1A1RXFP1KMT2AMEN1
SCHEMBL16586810 0.68 NTRK1 (1.00) NTRK1RXFP1MAPTPOLBTHRB
SCHEMBL16824917 0.68 RXFP1 (0.55) ALDH1A1RXFP1KMT2AMEN1MAPT
SCHEMBL17773665 0.67 MEN1 (0.51) ALDH1A1KMT2AMEN1MAPTKDM4E

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-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS AJINOMOTO CO. INC (JP) 2009-01-01 US disclosed
EP-2009003-A1 Production method of diaminopyrimidine compounds Ajinomoto Co., Inc. (JP) 2008-12-31 EP 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-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS DPYD, DHPS, UMPS NTRK1 4475/4885ALDH1A1 165/4885RXFP1 4667/4885

“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.