SCHEMBL738030

SCHEMBL738030

COc1cccc(-c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.53
AXL P30530 5/20 0.53
SRC P12931 6/20 0.51
BRD4 O60885 4/20 0.49
JAK1 P23458 2/20 0.49
HDAC1 Q13547 2/20 0.49
FGFR1 P11362 3/20 0.49
JAK2 O60674 3/20 0.49
JAK3 P52333 3/20 0.49
RET P07949 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDR P35968 2/20 0.48
FGFR4 P22455 1/20 0.48
PTK2 Q05397 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48

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
SCHEMBL263806 0.83 BRAF (0.55) BACE1AXLSRCBRD4JAK1
SCHEMBL270422 0.81 JAK1 (0.63) BACE1AXLSRCBRD4JAK1
SCHEMBL265095 0.78 HRH3 (0.59) BACE1AXLSRCFGFR1JAK2
SCHEMBL3967578 0.76 AXL (0.53) BACE1AXLSRCBRD4JAK1
SCHEMBL265892 0.76 CDK1 (0.59) BACE1AXLBRD4JAK1HDAC1
SCHEMBL3969809 0.76 AXL (0.55) BACE1AXLSRCBRD4JAK1
SCHEMBL18377042 0.75 BRAF (0.55) BACE1AXLSRCBRD4FGFR1
SCHEMBL29370829 0.75 BRAF (0.55) BACE1AXLSRCBRD4FGFR1
SCHEMBL17915915 0.75 BRAF (0.56) BACE1AXLBRD4JAK1HDAC1
SCHEMBL270394 0.75 BRD4 (0.72) AXLSRCBRD4JAK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (4 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BACE1 4739/4885AXL 267/4885SRC 80/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BACE1 4739/4885AXL 267/4885SRC 80/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BACE1 4739/4885AXL 267/4885SRC 80/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BACE1 4739/4885AXL 267/4885SRC 80/4885

“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.