SCHEMBL6402205

SCHEMBL6402205

N#CN=C(N)Nc1cccc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.49
MAPT P10636 11/20 0.49
KDM4E B2RXH2 9/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 5/20 0.49
TRPV1 Q8NER1 3/20 0.47
HTT P42858 6/20 0.47
MEN1 O00255 3/20 0.47
BLM P54132 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NSD2 O96028 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL14257256 0.78 TRPV1 (0.47) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL30544195 0.77 KDM4E (0.67) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL2315592 0.77 KDM4E (0.67) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL4850418 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2319974 0.76 KDM4E (0.65) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL6403118 0.74 MEN1 (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL5660097 0.73 TRPV1 (0.71) TRPV1
SCHEMBL6402994 0.73 TRPM5 (0.39)
SCHEMBL6402372 0.73 TRPM5 (0.39)
SCHEMBL30114438 0.72 TRPV1 (0.64) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2

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-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 ALDH1A1 1730/4885MAPT 3662/4885KDM4E 3084/4885

“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.