SCHEMBL6537897

SCHEMBL6537897

CC(C)n1nc(-c2cc(C#N)c(Cl)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
POLB P06746 1/20 0.38
KDM5A P29375 6/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5D Q9BY66 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
ADORA2A P29274 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6538517 0.87 AKT1 (0.39) NPSR1AKT1AKT2KDM5AKDM6B
SCHEMBL6538844 0.85 TP53 (0.37) POLBKDM5AKDM6BKDM5CKDM5D
SCHEMBL6538925 0.85 AKT1 (0.42) NPSR1CYP1A2CYP2C9CYP2C19AKT1
SCHEMBL6539002 0.84 RET (0.37) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL6538919 0.84 POLB (0.39) POLBADORA2AALDH1A1KDM4EGAA
SCHEMBL6539015 0.82 KDM5A (0.42) NPSR1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL6539012 0.82 POLB (0.42) POLBADORA2AALDH1A1KDM4EHPGD
SCHEMBL6538335 0.80 CASP1 (0.42) POLBADORA2AKDM4EPDE1APDE1B
SCHEMBL6538926 0.79 POLB (0.39) POLBADORA2APDE1APDE1BPDE1C
SCHEMBL6539239 0.78 POLB (0.40) POLBADORA2AALDH1A1KDM4EGAA

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 NPSR1 294/4885CYP1A2 772/4885CYP2C9 1277/4885

“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.