SCHEMBL1444375

SCHEMBL1444375

c1cc2cnc(SC3CCCN3)nc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.33
JAK2 O60674 3/20 0.33
AURKA O14965 2/20 0.31
KDR P35968 2/20 0.31
PRKCA P17252 1/20 0.31
TYK2 P29597 1/20 0.31
FLT3 P36888 1/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL1444372 0.69 JAK3 (0.47) JAK1JAK2
SCHEMBL11832992 0.69 AXL (0.38) KDR
SCHEMBL25523073 0.65 ALOX5AP (0.41) JAK1JAK2AURKAKDRPRKCA
SCHEMBL30406662 0.65 ALOX5AP (0.41) JAK1JAK2AURKAKDRPRKCA
SCHEMBL5355503 0.65 JAK1 (0.42) JAK1JAK2AURKAKDRPRKCA
SCHEMBL3134178 0.63 JAK2 (0.40) JAK1JAK2TYK2
SCHEMBL11853838 0.62 L3MBTL1 (0.46)
SCHEMBL4974907 0.61 CDC7 (0.50)
SCHEMBL30009349 0.60 ABL1 (0.52) JAK1ABL1
SCHEMBL28835689 0.60 KDM4E (0.40)

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 JAK1 4605/4885JAK2 4771/4885AURKA 1877/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B JAK1 4605/4885JAK2 4771/4885AURKA 1877/4885

“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.