SCHEMBL3190443

SCHEMBL3190443

Nc1cnc(Cl)nc1N[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CCNK O75909 5/20 0.38
CDK12 Q9NYV4 5/20 0.38
PAK1 Q13153 3/20 0.38
BTK Q06187 3/20 0.37
JAK3 P52333 6/20 0.36
JAK2 O60674 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
HSD11B1 P28845 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
SCHEMBL1694067 0.93 JAK3 (0.44) KMT2ABTKJAK3JAK2
SCHEMBL1783130 0.93 KMT2A (0.43) KMT2APAK1BTK
SCHEMBL28333053 0.85 KMT2A (0.56) KMT2ACCNKCDK12BTK
SCHEMBL3434611 0.85 KMT2A (0.56) KMT2ACCNKCDK12BTK
SCHEMBL2334905 0.85 ABL1 (0.41) KMT2ACCNKCDK12PAK1BTK
SCHEMBL18001112 0.83 BTK (0.49) BTKPIK3CD
SCHEMBL19665697 0.82 MAPK8 (0.45) CCNKCDK12BTKJAK3
SCHEMBL2331318 0.81 AXL (0.44) BTKJAK3JAK2
SCHEMBL19665640 0.81 HSD11B1 (0.47) KMT2ACCNKCDK12JAK3JAK2
SCHEMBL19665596 0.81 MAPK8 (0.46) CCNKCDK12BTKJAK3

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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-7662819-B2 Pteridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD PALO ALTO, INC. (US) 2010-02-16 US disclosed
EP-2131844-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2009-12-16 EP disclosed
WO-2008123891-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 WO disclosed
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS LIGAND PHARMACEUTICALS INCORPORATED 2008-10-09 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 (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-20100113463-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY KMT2A 1488/4885CCNK 1525/4885CDK12 1806/4885
US-20080249100-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, COASY KMT2A 1488/4885CCNK 1525/4885CDK12 1806/4885

“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.