SCHEMBL12986250

SCHEMBL12986250

Cc1cc(C(C)C)nc(N2CCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ SORD Q00796 2/20 0.43
▸ GBA1 P04062 7/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HCRTR1 O43613 2/20 0.40
▸ HCRTR2 O43614 2/20 0.40
▸ HRH4 Q9H3N8 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
SCHEMBL12986688 0.96 GBA1 (0.47) KMT2ASORDGBA1KDM4EMEN1
SCHEMBL12141944 0.95 GBA1 (0.46) KMT2ASORDGBA1KDM4EMEN1
SCHEMBL18068014 0.89 SORD (0.51) KMT2ASORDKDM4EMEN1HSD17B10
SCHEMBL11960321 0.85 KMT2A (0.64) KMT2AKDM4EMEN1HSD17B10NPSR1
SCHEMBL12986289 0.85 CASP1 (0.47) KMT2ASORDKDM4EMEN1USP2
SCHEMBL12990426 0.85 SORD (0.47) KMT2ASORDGBA1KDM4EMEN1
SCHEMBL13033934 0.82 KMT2A (0.56) KMT2ASORDGBA1KDM4EMEN1
SCHEMBL12986274 0.82 KDM4E (0.50) KMT2ASORDKDM4EMEN1HSD17B10
SCHEMBL12986291 0.81 SORD (0.44) KMT2ASORDGBA1KDM4EMEN1
SCHEMBL12986269 0.80 GBA1 (0.63) KMT2ASORDGBA1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 — — US disclosed
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
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 (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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 KMT2A 3258/4885SORD 1498/4885GBA1 309/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 939/4885SORD 4493/4885GBA1 4419/4885

“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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