Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL265972

COc1cc(Nc2nc(Nc3ccc(OC4CCNCC4)cc3)ncc2C)cc(OC)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.51
JAK1 P23458 5/20 0.51
JAK3 P52333 5/20 0.51
CYP3A4 P08684 3/20 0.49
SYK P43405 3/20 0.44
AURKA O14965 2/20 0.44
HDAC1 Q13547 1/20 0.44
BRD4 O60885 3/20 0.44
TYRO3 Q06418 2/20 0.44
AXL P30530 1/20 0.44
PTK2 Q05397 2/20 0.43
CHEK1 O14757 2/20 0.42
EGFR P00533 1/20 0.42
BTK Q06187 1/20 0.42
NTRK2 Q16620 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
SCHEMBL270503 0.91 JAK2 (0.56) JAK2JAK1JAK3CYP3A4SYK
SCHEMBL270515 0.82 SYK (0.51) JAK2JAK1JAK3SYKAURKA
Trifluoroacetic Acid SCHEMBL264269 0.82 AURKA (0.42) JAK2JAK3SYKAURKAAXL
SCHEMBL271306 0.82 JAK2 (0.56) JAK2JAK1JAK3CYP3A4SYK
Hydrochloric Acid SCHEMBL263896 0.82 SYK (0.50) JAK2JAK1JAK3SYKAURKA
SCHEMBL263777 0.78 EGFR (0.56) JAK2JAK3SYKAURKAHDAC1
SCHEMBL264267 0.78 BRD4 (0.51) JAK2JAK1JAK3CYP3A4BRD4
SCHEMBL264817 0.78 BRD4 (0.70) JAK2JAK1JAK3CYP3A4BRD4
SCHEMBL264636 0.78 SYK (0.65) JAK2JAK3SYKAURKABRD4
SCHEMBL266088 0.77 BRD4 (0.56) AURKABRD4TYRO3AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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 (5 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK JAK2 1/4885JAK1 6/4885JAK3 4/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885

“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.