SCHEMBL7900197

SCHEMBL7900197

[C-]#[N+]c1c(NN)nc(-c2ccc(OC)cc2)nc1SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ABCC1 P33527 2/20 0.36
ABCB1 P08183 1/20 0.36
KDM1A O60341 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LATS1 O95835 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7899634 0.84 MEN1 (0.45) ABCG2KMT2AMEN1ABCC1KDM4E
SCHEMBL7899780 0.81 ABCG2 (0.38) ABCG2KMT2AMEN1KDM1AKDM4E
SCHEMBL7898100 0.79 FOS (0.36) SYKABCG2KMT2AMEN1ABCC1
SCHEMBL4744572 0.78 MAPT (0.55) ABCG2KDM4EALDH1A1RXFP1MAPT
SCHEMBL7899726 0.77 RELA (0.52) MAPT
SCHEMBL7892150 0.72 FLT3 (0.46) ABCG2KMT2AMEN1ABCC1ABCB1
SCHEMBL7892613 0.72 PIK3CA (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7898400 0.72 HTR1A (0.44) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL7899808 0.72 TDP1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7899961 0.70 GABRP (0.38) KMT2AMEN1KDM4EALDH1A1MAPT

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-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S SYK 2049/4885ABCG2 3834/4885KMT2A 4045/4885

“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.