SCHEMBL4933852

SCHEMBL4933852

Cc1ccnc(-c2c(Cl)nc3ncnn3c2N[C@H](C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR1 P34998 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4933864 1.00 NPSR1 (0.39) NPSR1HTTALDH1A1CCR1CCR5
SCHEMBL25616298 0.83 HTT (0.38) HTTALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL25616309 0.82 ALDH1A1 (0.36) HTTALDH1A1KDM4ECRHR1MEN1
SCHEMBL4926421 0.80 CCR1 (0.43) NPSR1HTTALDH1A1CCR1CCR5
SCHEMBL29783525 0.78 MAPK1 (0.37) ALDH1A1CRHR1MEN1KMT2ATSHR
SCHEMBL3608660 0.78 MAPK1 (0.37) ALDH1A1CRHR1MEN1KMT2ATSHR
SCHEMBL79687 0.78 MAPK1 (0.37) ALDH1A1CRHR1MEN1KMT2ATSHR
SCHEMBL4934363 0.77 ENPP1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4934367 0.77 ENPP1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23925410 0.76 ALDH1A1 (0.34) ALDH1A1KDM4ECRHR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 NPSR1 2677/4885HTT 917/4885ALDH1A1 2419/4885

“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.