SCHEMBL20945196

SCHEMBL20945196

O=c1[nH]nc(Br)c2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.45
KDM4C Q9H3R0 5/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
AXL P30530 1/20 0.38
MAPT P10636 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
KDM5A P29375 2/20 0.35
CSNK2A1 P68400 1/20 0.35
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHUK O15111 1/20 0.34
IMPDH2 P12268 1/20 0.33
ROCK1 Q13464 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL28694341 0.93 PARP1 (0.42) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL29276157 0.79 PARP1 (0.46) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL19153845 0.78 PARP1 (0.45) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL30214806 0.78 PARP1 (0.45) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL4060640 0.76 ATM (0.57) PARP1MAPTPRMT5ATMNPSR1
SCHEMBL31543546 0.75 ACHE (0.42) PARP1AXLMAPTCSNK2A1CHUK
SCHEMBL658647 0.75 CHUK (0.44) PARP1AXLKDM5ACSNK2A1CHUK
SCHEMBL30632762 0.75 ACHE (0.42) PARP1AXLMAPTCSNK2A1CHUK
SCHEMBL4145343 0.75 ACHE (0.42) PARP1AXLMAPTCSNK2A1CHUK
SCHEMBL30995048 0.74 PARP1 (0.42) PARP1KDM4CKDM4AKDM4BKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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 (3 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 PARP1 451/4885KDM4C 3948/4885KDM4A 2903/4885
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP PARP1 2322/4885KDM4C 2960/4885KDM4A 2281/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP PARP1 2322/4885KDM4C 2960/4885KDM4A 2281/4885

“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.