SCHEMBL6480430

SCHEMBL6480430

COC(=O)c1ccc(Cl)c(Cn2nnnc2C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39
MAPK1 P28482 2/20 0.38
BUB1 O43683 4/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL6494834 0.86 P2RX7 (0.42) P2RX7CCR1CCR2MAPK1BUB1
SCHEMBL6488718 0.86 P2RX7 (0.42) P2RX7CCR1CCR2MAPK1HPGD
SCHEMBL6480890 0.85 CCR1 (0.36) P2RX7CCR1CCR2MAPK1HPGD
SCHEMBL6479768 0.82 P2RX7 (0.33) P2RX7CCR1CCR2MAPK1BUB1
SCHEMBL6490664 0.78 BUB1 (0.38) BUB1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL6491667 0.77 CCR1 (0.32) P2RX7CCR1CCR2
SCHEMBL6489376 0.77 TP53 (0.43) MAPK1BUB1CYP1A2CYP2C9ALDH1A1
SCHEMBL6489730 0.74 POLB (0.39) MAPK1BUB1HPGDALDH1A1TSHR
SCHEMBL6328685 0.74 BUB1 (0.39) BUB1ALDH1A1KMT2APDE3BPDE3A
SCHEMBL5182692 0.73 HPGD (0.47) HPGDALDH1A1TSHRKMT2AKDM4E

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-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 P2RX7 1507/4885CCR1 1965/4885CCR2 1872/4885

“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.