SCHEMBL13033928

SCHEMBL13033928

CCc1cc(C)nc(N2CCNCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ HRH1 P35367 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SORD Q00796 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL9488089 0.85 CETP (0.50) CASP1CASP4CASP5HRH1USP2
SCHEMBL1515373 0.84 CASP1 (0.58) CASP1CASP4CASP5HRH1USP2
Hydrochloric Acid SCHEMBL8580756 0.84 CETP (0.49) CASP1CASP4CASP5HRH1USP2
Hydrochloric Acid SCHEMBL8582022 0.83 CASP1 (0.56) CASP1CASP4CASP5HRH1USP2
SCHEMBL15107946 0.81 SORD (0.45) USP2SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL12990165 0.80 CASP1 (0.44) CASP1CASP4CASP5HRH1USP2
SCHEMBL5447893 0.79 KDM4E (0.48) USP2KDM4EALDH1A1SORDHPGD
SCHEMBL20042186 0.78 CASP1 (0.51) CASP1CASP4CASP5HRH1USP2
SCHEMBL16847363 0.78 CASP1 (0.61) CASP1CASP4CASP5HRH1USP2
SCHEMBL22616040 0.77 ALDH1A1 (0.53) CASP1CASP4CASP5HRH1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CASP1 1706/4885CASP4 2849/4885CASP5 3066/4885

“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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