SCHEMBL7833457

SCHEMBL7833457

Clc1cc(Cl)nc(N2CCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.44
▸ CASP5 P51878 2/20 0.44
▸ CASP4 P49662 1/20 0.44
▸ HRH1 P35367 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL1697668 0.95 CASP1 (0.48) CASP1CASP5CASP4HRH1ALDH1A1
SCHEMBL15334687 0.93 SMN1; SMN2 (0.48) CASP1CASP5CASP4HRH1ALDH1A1
SCHEMBL2773410 0.87 CASP1 (0.56) CASP1CASP5CASP4KMT2AMAPT
SCHEMBL12344127 0.86 HTT (0.51) ALDH1A1USP2HSD17B10MEN1HTT
SCHEMBL2772556 0.83 CASP1 (0.61) CASP1CASP5CASP4KMT2AMAPT
SCHEMBL10143602 0.81 HRH4 (0.54) CASP1CASP5CASP4HRH1ALDH1A1
SCHEMBL3410110 0.81 HTT (0.51) CASP1CASP5CASP4ALDH1A1SMN1; SMN2
SCHEMBL2771547 0.81 CASP1 (0.59) CASP1CASP5CASP4SMN1; SMN2MAPT
SCHEMBL29826722 0.81 HTT (0.51) CASP1CASP5CASP4ALDH1A1SMN1; SMN2
SCHEMBL11822255 0.80 POLB (0.39) ALDH1A1RAB9AHSD17B10KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785444-B2 Thiazoles and pyrazoles useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-22 — — US disclosed
US-8785444-B2 Thiazoles and pyrazoles useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-22 — — US disclosed
US-20130116228-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 — — US disclosed
US-20130116228-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 — — US disclosed
US-8268811-B2 Thiazoles and pyrazoles useful as kinase inhibitors VERTEX PHARMACEUTICALS INC. (US) 2012-09-18 — — US disclosed
US-20100317641-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 — — US disclosed
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 — — EP 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

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-20100317641-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CASP1 2051/4885CASP5 1762/4885CASP4 3340/4885
US-20130116228-A1 THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB CASP1 2051/4885CASP5 1762/4885CASP4 3340/4885

“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.

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