SCHEMBL22256205

SCHEMBL22256205

Clc1cc(Cl)c2ncc(Br)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.37
DYRK1A Q13627 3/20 0.36
PLAU P00749 1/20 0.36
KIF20B Q96Q89 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
NQO2 P16083 2/20 0.32
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL30957213 1.00 PTGES (0.37) PTGESDYRK1APLAUKIF20BALDH1A1
SCHEMBL22234251 0.81 BACE1 (0.39) PTGESDYRK1APLAUKIF20BALDH1A1
SCHEMBL30316963 0.81 ALDH1A1 (0.43) PTGESDYRK1APLAUALDH1A1HTT
SCHEMBL24252457 0.77 DYRK1A (0.36) DYRK1APLAUHTTKMT2APTPN7
SCHEMBL30451907 0.77 DYRK1A (0.36) DYRK1APLAUHTTKMT2APTPN7
SCHEMBL12629416 0.77 CCR1 (0.45) KIF20BALDH1A1HTTNPSR1KMT2A
SCHEMBL2725327 0.73 DYRK1A (0.36) PTGESDYRK1APLAUALDH1A1HTT
SCHEMBL1932691 0.73 HTT (0.36) PTGESDYRK1APLAUALDH1A1HTT
SCHEMBL20374535 0.72 DYRK1A (0.47) DYRK1APLAUALDH1A1HTTSMN1; SMN2
SCHEMBL30359528 0.72 DYRK1A (0.47) DYRK1APLAUALDH1A1HTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612155-A1 1,5-NAPHTHYRIDINE DERIVATIVES AS KRAS ONCOPROTEIN INHIBITORS Beta Pharma, Inc. (US) 2025-09-10 EP disclosed
US-12150937-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-11-26 US disclosed
WO-2024097559-A1 1,5-NAPHTHYRIDINE DERIVATIVES AS KRAS ONCOPROTEIN INHIBITORS BETA PHARMA, INC. (US) 2024-05-10 WO disclosed
EP-3911417-B1 HETEROCYCLIC NLRP3 MODULATORS , FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY INC (US) 2022-10-26 EP disclosed
US-20220087991-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
US-20220087991-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
CN-113301962-A Heterocyclic NLRP3 modulators for the treatment of cancer 先天肿瘤免疫公司 2021-08-24 CN disclosed
WO-2020150114-A1 HETEROCYCLIC NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO 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 (2 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-20220087991-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD PTGES 396/4885DYRK1A 4867/4885PLAU 4436/4885
US-12150937-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD PTGES 396/4885DYRK1A 4867/4885PLAU 4436/4885

“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.