SCHEMBL1444372

SCHEMBL1444372

c1nc(SC2CCCN2)c2cc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.47
HPGDS O60760 1/20 0.46
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
NOTUM Q6P988 1/20 0.44
KIT P10721 1/20 0.44
AKT2 P31751 1/20 0.44
GSK3B P49841 1/20 0.44
JAK1 P23458 5/20 0.43
JAK2 O60674 2/20 0.42

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
SCHEMBL3535805 0.78 JAK3 (0.57) JAK3HPGDSCDC7DBF4NOTUM
SCHEMBL1444375 0.69 JAK1 (0.33) JAK1JAK2
SCHEMBL8929274 0.69 CDC7 (0.46) JAK3HPGDSCDC7DBF4NOTUM
SCHEMBL24121893 0.67 JAK3 (0.49) JAK3HPGDSJAK1JAK2
SCHEMBL10169662 0.66 JAK3 (0.67) JAK3KITAKT2GSK3BJAK1
SCHEMBL20582811 0.66 JAK3 (0.67) JAK3KITAKT2GSK3BJAK1
SCHEMBL10169663 0.66 JAK3 (0.67) JAK3KITAKT2GSK3BJAK1
SCHEMBL10170240 0.66 JAK3 (0.67) JAK3KITAKT2GSK3BJAK1
SCHEMBL15208683 0.66 JAK3 (0.67) JAK3KITAKT2GSK3BJAK1
SCHEMBL2113254 0.65 HPGDS (0.58) JAK3HPGDSJAK1JAK2

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-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
EP-2475666-A2 GYRASE INHIBITORS Trius Therapeutics, Inc. (US) 2012-07-18 EP disclosed
WO-2011032050-A2 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2011-03-17 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 (2 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B JAK3 4498/4885HPGDS 1772/4885CDC7 7/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B JAK3 4498/4885HPGDS 1772/4885CDC7 7/4885

“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.