SCHEMBL4132353

SCHEMBL4132353

CC(=O)Nc1cnc(N(C)C)nc1Cl.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.40
KDR P35968 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HDAC1 Q13547 2/20 0.39
APOBEC3A P31941 1/20 0.39
GFER P55789 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
STAT1 P42224 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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) KDRKDM4EHDAC1APOBEC3AGFER
SCHEMBL4144046 0.80 NTRK1 (0.51) KDM4ENPC1POLBMAPTALDH1A1
SCHEMBL4132401 0.80 ADORA3 (0.43) KDRKDM4EHDAC1APOBEC3AGFER
SCHEMBL4144446 0.74 ADORA3 (0.48) KDM4EHDAC1APOBEC3AGFERAPOBEC3G
SCHEMBL4132347 0.73 CCNE1 (0.51) HDAC1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL2648798 0.73 FYN (0.54) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL23331258 0.71 PTK2 (0.43) KDM4EPOLBALDH1A1HPGD
SCHEMBL11816879 0.66 TRPV1 (0.50) KDRKDM4ESMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL4141950 0.66 KDM4E (0.47) KDRKDM4EHDAC1APOBEC3AGFER
SCHEMBL11307546 0.65 ALDH1A1 (0.47) KDM4ERAB9ATP53POLBMAPT

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 PIK3C3 1516/4885KDR 3758/4885KDM4E 1666/4885

“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.