Sugi Predict

Sugi Predict / Compounds / Thiophene

Thiophene

Thiophene

SCHEMBL12540367

c1ccsc1.c1csc(-c2ncc3nc[nH]c3n2)c1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35

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
SCHEMBL1811570 0.94 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL30850780 0.94 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL30850674 0.71 PIK3CA (0.39) NPC1ALDH1A1PIK3CAMTORPIK3CG
SCHEMBL27617930 0.71 PIK3CA (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL680853 0.69 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4875480 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5997136 0.69 PIK3CA (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27157710 0.69 ADORA3 (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL31547968 0.68 MAPK1 (0.41) NPC1PIK3CAPIK3CGCDK5CDK8
Hydrochloric Acid SCHEMBL4456673 0.68 NPC1 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 — — US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 — — US disclosed
US-8501735-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors PALAU PHARMA, S.A. (ES) 2013-08-06 — — US disclosed
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LIMITED (GB) 2013-05-23 — — US disclosed
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS ALMANSA ROSALES CARMEN (ES) 2012-09-27 — — 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 NPC1 2826/4885RAB9A 1073/4885KDM4E 2056/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 NPC1 2826/4885RAB9A 1073/4885KDM4E 2056/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 NPC1 2826/4885RAB9A 1073/4885KDM4E 2056/4885

“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.