Sugi Predict

Sugi Predict / Compounds / SCHEMBL15980352

SCHEMBL15980352

SCHEMBL15980352

Cc1nc2c(s1)CCC(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.46
▸ NPC1 O15118 6/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SLC27A1 Q6PCB7 1/20 0.36
▸ ALDH1A1 P00352 8/20 0.34
▸ HTT P42858 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ GUSB P08236 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ TSHR P16473 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
SCHEMBL5204000 0.79 APOBEC3A (0.48) PDK1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL17480635 0.77 PDK1 (0.42) PDK1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL17481212 0.77 DPP4 (0.39) DPP4PDE10A
SCHEMBL17481210 0.77 NOS3 (0.37) PDK1NPC1SMN1; SMN2MAPTLMNA
SCHEMBL22887783 0.75 PDK1 (0.38) PDK1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL17481228 0.75 DPP4 (0.33) DPP4PDE10A
Manozodil SCHEMBL2109903 0.73 PDE10A (0.32) DPP4PDE10A
SCHEMBL11161373 0.72 DPP4 (0.36) DPP4
SCHEMBL11161376 0.71 DRD3 (0.30) —
SCHEMBL17339864 0.70 NPC1 (0.34) PDK1NPC1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-01-19 — — US disclosed
US-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2016-02-04 — — US disclosed
WO-2016019233-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-02-04 — — WO disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 — — US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 — — US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 — — US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 — — 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 (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-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK PDK1 2352/4885NPC1 4651/4885SMN1; SMN2 4440/4885
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK PDK1 2352/4885NPC1 4651/4885SMN1; SMN2 4440/4885
US-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 PDK1 3947/4885NPC1 558/4885SMN1; SMN2 3014/4885

“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.