Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3087388

Nc1ccc(C2CCNCC2)nc1C1=CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.43
CYP2C9 P11712 1/20 0.43
ATR Q13535 1/20 0.35
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 6/20 0.34
KIT P10721 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
MAPK1 P28482 1/20 0.33
HDAC3 O15379 2/20 0.32
P2RY14 Q15391 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FFAR2 O15552 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
AOC3 Q16853 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL2942019 0.83 CSF1R (0.41) CSF1RKITHRH4HRH3
Trifluoroacetic Acid SCHEMBL2907602 0.79 CSF1R (0.59) CSF1RCYP2C9HDAC1HDAC2KIT
Trifluoroacetic Acid SCHEMBL3093536 0.75 CSF1R (0.55) CSF1RCYP2C9HDAC1HDAC2KIT
Trifluoroacetic Acid SCHEMBL3078168 0.72 FFAR2 (0.41) CSF1RCYP2C9ATRHDAC1HDAC2
Trifluoroacetic Acid SCHEMBL2907598 0.70 CSF1R (0.56) CSF1RCYP2C9HDAC1HDAC2KIT
SCHEMBL3079858 0.70 CSF1R (0.39) CSF1RKITHRH4
Trifluoroacetic Acid SCHEMBL21274845 0.70 TRPC6 (0.40) HRH4P2RY14HRH3
SCHEMBL3656499 0.69 CSF1R (0.37) CSF1RKITFFAR2JAK2JAK1
SCHEMBL2938391 0.68 KIT (0.44) CSF1RHDAC1HDAC2KITFFAR2
SCHEMBL17837643 0.68 MAP2K3 (0.45) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
EP-1807077-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-11-23 EP disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8697716-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US disclosed
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
EP-2397138-B1 Aromatic amide derivatives as C-KIT kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-11 EP disclosed
US-8557847-B2 Synergistic modulation of FLT3 kinase using a FLT3 inhibitor and a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA, N.V. (BE) 2013-10-15 US disclosed
US-20100256148-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER JANSSEN PHARMACEUTICA NV (BE) 2010-10-07 US disclosed
US-7795279-B2 Method of inhibiting FLT3 kinase JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-7662837-B2 4-cyano-1H-imidazole-2-carboxylic acid {2-cyclohex-1-enyl-4-[1-(2-dimethylamino-acetyl)-piperidin-4-yl]-phenyl}-amide; protein tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-16 US disclosed
US-7645755-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICAL N.V. (BE) 2010-01-12 US disclosed
US-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR BAUMANN CHRISTIAN ANDREW 2009-08-06 US disclosed
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2008-02-28 US disclosed
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 US disclosed
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060189623-A1 Inhibitors of c-fms kinase ILLIG CARL R 2006-08-24 US disclosed
US-20060148812-A1 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 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 (9 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-20060189623-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES CSF1R 34/4885CYP2C9 2632/4885ATR 3017/4885
US-20100256148-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER SOST, CALCB, CALCA CSF1R 304/4885CYP2C9 3569/4885ATR 3201/4885
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 CSF1R 2973/4885CYP2C9 4002/4885ATR 1625/4885
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R CSF1R 3/4885CYP2C9 2908/4885ATR 1511/4885
US-20060148812-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES CSF1R 34/4885CYP2C9 2632/4885ATR 3017/4885
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 CSF1R 2973/4885CYP2C9 4002/4885ATR 1625/4885
US-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R CSF1R 3/4885CYP2C9 2908/4885ATR 1511/4885
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE FLT3, PLK1, PHKG1 CSF1R 149/4885CYP2C9 4139/4885ATR 272/4885
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 CSF1R 2973/4885CYP2C9 4002/4885ATR 1625/4885

“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.