SCHEMBL5096432

SCHEMBL5096432

Cc1nc2ncnn2c(C)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.41
ENPP1 P22413 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14108154 0.91 ALDH1A1 (0.47) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5096454 0.87 ALDH1A1 (0.46) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5445684 0.85 MAPK1 (0.45) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5433238 0.85 ALDH1A1 (0.45) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5443361 0.85 MAPK1 (0.45) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL14489594 0.85 MAPK1 (0.45) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL14503823 0.83 ALDH1A1 (0.45) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5090573 0.82 MAPK1 (0.43) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL974955 0.81 MAPK1 (0.42) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL976753 0.81 ALDH1A1 (0.44) ALDH1A1TSHRKMT2APOLBMAPK1

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-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 US disclosed
EP-1797097-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-06-20 EP disclosed
WO-2006034848-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-04-06 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-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi H1-0, NAT1, DPM1 ALDH1A1 2830/4885TSHR 3431/4885KMT2A 1699/4885

“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.