SCHEMBL3045102

SCHEMBL3045102

C=CCN(C)Cc1cc(-c2ccnc(Nc3cccc(C(N)=O)c3)n2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
FLT3 P36888 1/20 0.49
CAMKK2 Q96RR4 4/20 0.48
PIK3CG P48736 4/20 0.48
MAPK8 P45983 3/20 0.48
GSK3B P49841 1/20 0.48
ABL1 P00519 3/20 0.47
BCR P11274 3/20 0.47
SRC P12931 1/20 0.47
SYK P43405 2/20 0.45
PRKCA P17252 2/20 0.43
CDK5 Q00535 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 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
SCHEMBL3045105 0.88 CDK5 (0.58) JAK2FLT3PIK3CGABL1BCR
SCHEMBL823934 0.85 ABL1 (0.47) JAK2FLT3PIK3CGMAPK8ABL1
SCHEMBL4903189 0.83 PIK3CG (0.61) JAK2FLT3CAMKK2PIK3CGMAPK8
SCHEMBL12276138 0.79 SYK (0.61) JAK2FLT3CAMKK2PIK3CGMAPK8
SCHEMBL27115956 0.76 ABL1 (0.60) CAMKK2PIK3CGMAPK8GSK3BABL1
SCHEMBL2939791 0.75 PIK3CG (0.68) CAMKK2PIK3CGMAPK8GSK3BABL1
SCHEMBL824010 0.74 KMO (0.41) JAK2PIK3CGPIK3CAPIK3CBEGFR
SCHEMBL824003 0.73 ABL1 (0.42) JAK2FLT3PIK3CGABL1BCR
SCHEMBL14254081 0.73 CAMKK2 (0.55) JAK2CAMKK2PIK3CGMAPK8GSK3B
SCHEMBL14530985 0.73 ALDH1A1 (0.39) JAK2FLT3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051221-A1 SYSTEM FOR PRODUCING BIOCHAR AND METHOD FOR PRODUCING BIOCHAR KF CO., LTD. (KR) 2017-02-23 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
EP-2396508-B1 METHOD FOR CONVERTING HYDRATES BURIED IN THE WATERBOTTOM INTO A MARKETABLE HYDROCARBON COMPOSITION SHELL INT RESEARCH (NL) 2013-05-29 EP disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
EP-2226466-A1 Method for producing a marketable hydrocarbon composition from a hydrate deposit buried in the waterbottom Shell Internationale Research Maatschappij B.V. (NL) 2010-09-08 EP disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
EP-1951730-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
US-6428399-B1 Polishing apparatus for polishing a hard material-coated wafer SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
US-6307731-B1 OXYGEN INCLUSION LAYER CONTAINING PRECIOUS AND TRANSITION METALS; ETCHING, ANNEALING, MICROFABRICATION SONY CORPORATION (JP) 2001-10-23 US disclosed
EP-0530021-A2 Diamond film and method of producing same SUMITOMO ELECTRIC INDUSTRIES, LIMITED (JP) 1993-03-03 EP 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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD JAK2 692/4885FLT3 424/4885CAMKK2 1242/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD JAK2 692/4885FLT3 424/4885CAMKK2 1242/4885

“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.