Sugi Predict

Sugi Predict / Compounds / SCHEMBL601801

SCHEMBL601801

SCHEMBL601801

Cn1cnc2cnc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.39
▸ GRM5 P41594 2/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHEK1 O14757 3/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 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
SCHEMBL1397563 0.81 CHEK1 (0.56) CHEK1CHRNA7HTR3A
SCHEMBL15184452 0.77 JAK2 (0.47) SYKCHEK1JAK2JAK1TYK2
SCHEMBL15184453 0.76 JAK2 (0.51) SYKCHEK1JAK2JAK1TYK2
SCHEMBL7914272 0.73 DYRK1A (0.41) GRM5DYRK1ACHRNB2CHRNA4ALDH1A1
SCHEMBL1396974 0.72 DYRK1A (0.40) GRM5DYRK1ACHRNB2CHRNA4ALDH1A1
SCHEMBL29479531 0.72 DYRK1A (0.51) SYKGRM5DYRK1ACHRNB2CHRNA4
SCHEMBL15174274 0.72 CHRNB2 (0.42) GRM5DYRK1ACHRNB2CHRNA4ALDH1A1
SCHEMBL29479538 0.72 CHRNB2 (0.42) GRM5DYRK1ACHRNB2CHRNA4ALDH1A1
SCHEMBL12341865 0.72 DYRK1A (0.51) SYKGRM5DYRK1ACHRNB2CHRNA4
SCHEMBL15174798 0.72 DYRK1A (0.40) GRM5DYRK1ACHRNB2CHRNA4ALDH1A1

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
EP-2379513-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-26 — — EP disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 — — WO disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 — — 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 (1 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF SYK 1442/4885GRM5 4437/4885DYRK1A 1525/4885

“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.