Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL265010

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc2c(c1)OCO2.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.63
JAK2 O60674 8/20 0.63
JAK3 P52333 6/20 0.63
JAK1 P23458 5/20 0.63
HDAC1 Q13547 3/20 0.63
RET P07949 2/20 0.63
TYK2 P29597 2/20 0.63
FLT3 P36888 2/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
BRDT Q58F21 2/20 0.59
BRD2 P25440 1/20 0.59
BRD3 Q15059 1/20 0.59
ULK1 O75385 4/20 0.58
AXL P30530 3/20 0.58
SYK P43405 2/20 0.58
MERTK Q12866 2/20 0.58
SRC P12931 2/20 0.58
BMPR1B O00238 1/20 0.58
PLK4 O00444 1/20 0.58

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
SCHEMBL270351 0.92 BRD4 (0.65) BRD4JAK2JAK3JAK1HDAC1
Trifluoroacetic Acid SCHEMBL277759 0.86 BRD4 (0.70) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL270660 0.80 JAK3 (0.72) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL265437 0.80 JAK3 (0.74) BRD4JAK2JAK3JAK1HDAC1
Hydrochloric Acid SCHEMBL264080 0.79 JAK3 (0.71) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL14536069 0.79 BRD4 (0.71) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL264515 0.79 BRD4 (0.71) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL269991 0.79 JAK1 (0.75) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL265787 0.78 BRD4 (0.70) BRD4JAK2JAK3JAK1HDAC1
SCHEMBL12109495 0.78 BRD4 (0.61) BRD4JAK2JAK3JAK1HDAC1

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 BRD4 156/4885JAK2 1/4885JAK3 4/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK3 3/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK3 3/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK3 3/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK3 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.