SCHEMBL6765693

SCHEMBL6765693

O=C(c1cnccn1)c1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
NAPRT Q6XQN6 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
TSHR P16473 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
MC4R P32245 1/20 0.55
ADRA1A P35348 1/20 0.55
MC3R P41968 1/20 0.55
BAZ2B Q9UIF8 1/20 0.45
MCL1 Q07820 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3186159 0.84 KDM4E (0.70) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL5261595 0.80 KMT2A (0.58) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL4019791 0.76 KMT2A (0.63) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL30593013 0.76 KMT2A (0.63) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL7618500 0.75 KDM4E (0.70) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL4901021 0.74 KDM4E (0.47) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL24977120 0.74 KMT2A (0.67) KDM4ENAPRTHDAC3HDAC1HDAC2
SCHEMBL10373456 0.74 P2RX7 (0.52) KDM4ENAPRTTSHRHDAC8SMN1; SMN2
SCHEMBL2536804 0.73
Pyrazinoic Acid SCHEMBL29651929 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102465-A1 Pyrazolyl pyrimidines BAYER CROPSCIENCE AG (DE) 2004-05-27 US claimed

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 KDM4E 3833/4885NAPRT 1496/4885HCAR2 4352/4885

“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.