Sugi Predict

Sugi Predict / Compounds / SCHEMBL13466367

SCHEMBL13466367

SCHEMBL13466367

CNCc1cncc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NOS1 P29475 4/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ DYRK1A Q13627 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL16619128 0.85 CYP11B2 (0.38) PRMT6EPHX2NOS1NOS2DYRK1A
SCHEMBL21278440 0.83 NOS1 (0.38) PRMT6EPHX2NOS1NOS2DYRK1A
SCHEMBL17827395 0.83 KCNH2 (0.45) DYRK1AALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL14079723 0.80 NOS3 (0.47) PRMT6EPHX2NOS1DYRK1AMAPT
SCHEMBL798986 0.78 GPR55 (0.38) NOS1NOS2ALDH1A1HTTSMN1; SMN2
SCHEMBL19323052 0.78 CYP11B2 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL17480806 0.77 KDM4E (0.39) PRMT6EPHX2NOS1NOS2CYP3A4
SCHEMBL22701655 0.77 PRMT6 (0.37) PRMT6EPHX2NOS1NOS2DYRK1A
SCHEMBL12120613 0.76 GABRA1 (0.33) NOS1NOS2RAB9APRMT5WDR77
SCHEMBL5108969 0.76 CYP2A6 (0.41) NOS1NOS2DYRK1AKDM4EPRMT5

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
EP-3949969-A2 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF Silverback Therapeutics, Inc. (US) 2022-02-09 — — EP disclosed
US-20210277024-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-09-09 — — US disclosed
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 — — US disclosed
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 — — US disclosed
WO-2020023551-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-01-30 — — WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — 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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 PRMT6 2068/4885EPHX2 4534/4885NOS1 2325/4885
US-20210277024-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF NEK1, NEK11, NEK5 PRMT6 2021/4885EPHX2 2470/4885NOS1 1308/4885
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HIPK1, HPGDS, IP6K1 PRMT6 1448/4885EPHX2 2693/4885NOS1 1665/4885

“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.