SCHEMBL6715378

SCHEMBL6715378

Sc1nccc(-n2cccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.41
NPC1 O15118 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.39
GRM5 P41594 3/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL9520789 0.81 KDM4E (0.50) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL27791455 0.79 CDC7 (0.50) ALDH1A1KDM4EADORA2AADORA1NLRP3
SCHEMBL6715377 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL6085101 0.79 KDM4E (0.48) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL23697527 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL199306 0.77 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL28812535 0.75 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL31519065 0.75 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL28222796 0.75 KDM4E (0.44) ALDH1A1KDM4ELMNAMAPK1NPC1
SCHEMBL28326781 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPK1NPC1

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-20040102465-A1 Pyrazolyl pyrimidines BAYER CROPSCIENCE AG (DE) 2004-05-27 US disclosed
EP-1363905-A1 PYRAZOLYL PYRIMIDINES Bayer CropScience AG (DE) 2003-11-26 EP disclosed
WO-2002068413-A1 PYRAZOLYL PYRIMIDINES BAYER CROPSCIENCE AG (DE) 2002-09-06 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-20040102465-A1 Pyrazolyl pyrimidines ZYX, P2RX5, P2RX1 ALDH1A1 1322/4885KDM4E 3833/4885LMNA 3828/4885

“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.