Sugi Predict

Sugi Predict / Compounds / SCHEMBL3467602

SCHEMBL3467602

SCHEMBL3467602

[CH]1C2Cc3ccccc3N12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.39
▸ AADAT Q8N5Z0 2/20 0.39
▸ GOT1 P17174 1/20 0.39
▸ KYAT1 Q16773 1/20 0.39
▸ KYAT3 Q6YP21 1/20 0.39
▸ SRD5A1 P18405 1/20 0.39
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 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
SCHEMBL3050637 0.71 SRD5A1 (0.36) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL5835687 0.67 HTR2C (0.40) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL31091229 0.67 NOTUM (0.60) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL12225885 0.67 NOTUM (0.41) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL157086 0.67 NOTUM (0.60) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL31091230 0.67 NOTUM (0.60) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL16558113 0.66 SRD5A1 (0.37) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL19335725 0.66 SRD5A1 (0.37) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL15695452 0.66 HTR2A (0.39) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL437838 0.66 HTR2C (0.39) NOTUMAADATGOT1KYAT1KYAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 — — EP disclosed
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
WO-2010072823-A1 PYRAZOLE[1,5a]PYRIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2010-07-01 — — 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 NOTUM 3526/4885AADAT 1120/4885GOT1 781/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 NOTUM 3526/4885AADAT 1120/4885GOT1 781/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 NOTUM 3526/4885AADAT 1120/4885GOT1 781/4885

“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.