Sugi Predict

Sugi Predict / Compounds / SCHEMBL3914461

SCHEMBL3914461

SCHEMBL3914461

NC(=O)c1ccnc(-c2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4B O94953 2/20 0.56
▸ KDM5C P41229 2/20 0.56
▸ KDM5B Q9UGL1 2/20 0.56
▸ AR P10275 1/20 0.49
▸ CHEK1 O14757 1/20 0.48
▸ CHEK2 O96017 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ CDC7 O00311 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ FYN P06241 1/20 0.44

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
SCHEMBL21310953 0.86 KDM5C (0.57) KDM4BKDM5CKDM5BKDM4EALDH1A1
SCHEMBL29141512 0.81 KDM4E (0.60) KDM5CKDM5BKDM4EALDH1A1NPC1
SCHEMBL28342388 0.81 CAMK2D (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7038517 0.79 KDM5C (0.69) KDM4BKDM5CKDM5BKDM4ECYP2C19
SCHEMBL5012797 0.79 HPGD (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20186461 0.78 CAMK2D (0.68) —
SCHEMBL21311251 0.77 GABRA1 (0.47) KDM5CKDM4EALDH1A1NPC1RAB9A
SCHEMBL28954593 0.77 KDM4B (0.55) KDM4BKDM5CKDM5BCHEK1CHEK2
SCHEMBL27986436 0.76 KDM5C (0.57) KDM4BKDM5CKDM5BCHEK2KDM4E
SCHEMBL4559856 0.76 AR (0.52) ARCHEK1CHEK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 — — US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 — — US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 — — US disclosed
EP-2035386-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2009-03-18 — — EP disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 — — 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 (3 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-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 KDM4B 78/4885KDM5C 17/4885KDM5B 15/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4B 95/4885KDM5C 22/4885KDM5B 14/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4B 105/4885KDM5C 20/4885KDM5B 14/4885

“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.