SCHEMBL1697668

SCHEMBL1697668

Clc1cc(Cl)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
CASP5 P51878 2/20 0.48
CASP4 P49662 1/20 0.48
HRH1 P35367 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GALR3 O60755 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL15334687 0.98 SMN1; SMN2 (0.48) CASP1CASP5CASP4HRH1SMN1; SMN2
SCHEMBL7833457 0.95 CASP1 (0.44) CASP1CASP5CASP4HRH1SMN1; SMN2
SCHEMBL2772556 0.87 CASP1 (0.61) CASP1CASP5CASP4KMT2AMAPT
SCHEMBL10143602 0.86 HRH4 (0.54) CASP1CASP5CASP4HRH1ALDH1A1
SCHEMBL3410110 0.86 HTT (0.51) CASP1CASP5CASP4SMN1; SMN2USP2
SCHEMBL2771547 0.86 CASP1 (0.59) CASP1CASP5CASP4SMN1; SMN2MAPT
SCHEMBL29826722 0.86 HTT (0.51) CASP1CASP5CASP4SMN1; SMN2USP2
SCHEMBL3409761 0.84 HTT (0.50) SMN1; SMN2USP2HSD17B10MEN1HTT
SCHEMBL10143604 0.84 HRH4 (0.53) CASP1CASP5CASP4SMN1; SMN2USP2
SCHEMBL2773410 0.83 CASP1 (0.56) CASP1CASP5CASP4KMT2AMAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2023278483-A1 COMPOUNDS HAVING 1H-PYRAZOLO[4,3-C]PYRIDIN-6-AMINOS AS THERAPEUTIC AGENTS LOMOND THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2023278483-A1 COMPOUNDS HAVING 1H-PYRAZOLO[4,3-C]PYRIDIN-6-AMINOS AS THERAPEUTIC AGENTS LOMOND THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed
US-5550240-A Piperazinyl-bis(alkylamino)pyrimidine derivatives and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-27 US disclosed
EP-0644885-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYESZETI GYAR RT. (HU) 1995-03-29 EP disclosed
EP-0644882-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-03-29 EP disclosed
WO-1993025550-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYÉSZETI GYÁR RT. (HU) 1993-12-23 WO disclosed
WO-1993025539-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 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 (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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 CASP1 2591/4885CASP5 1764/4885CASP4 3067/4885

“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.