SCHEMBL3086038

SCHEMBL3086038

O=C(Nc1ccc(C2CCN(CCO)CC2)cc1C1=CCCCC1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 17/20 0.63
KIT P10721 8/20 0.63
CYP3A4 P08684 6/20 0.53
NTRK1 P04629 2/20 0.53
LCK P06239 2/20 0.53
AXL P30530 2/20 0.53
FLT3 P36888 2/20 0.53
CYP2C19 P33261 4/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2913376 0.91 CSF1R (0.64) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL2914691 0.89 KIT (0.68) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL2913128 0.88 CSF1R (0.64) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL2912880 0.88 KIT (0.52) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL3093446 0.86 CSF1R (0.64) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL5260899 0.84 CSF1R (0.54) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL2913264 0.84 CSF1R (0.66) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL2909875 0.84 KIT (0.52) CSF1RKITCYP3A4NTRK1LCK
Trifluoroacetic Acid SCHEMBL3086039 0.83 CSF1R (0.52) CSF1RKITCYP3A4NTRK1LCK
SCHEMBL2913494 0.83 CSF1R (0.55) CSF1RKITCYP3A4NTRK1LCK

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 20 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
EP-1807077-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP 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
WO-2006047277-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO 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 34/4885KIT 125/4885CYP3A4 3871/4885
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 304/4885KIT 873/4885CYP3A4 4421/4885
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 CSF1R 2973/4885KIT 1/4885CYP3A4 4130/4885
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R CSF1R 3/4885KIT 70/4885CYP3A4 2047/4885
US-20060148812-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES CSF1R 34/4885KIT 125/4885CYP3A4 3871/4885
US-20080051402-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 CSF1R 2973/4885KIT 1/4885CYP3A4 4130/4885
US-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R CSF1R 3/4885KIT 70/4885CYP3A4 2047/4885
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE FLT3, PLK1, PHKG1 CSF1R 149/4885KIT 192/4885CYP3A4 3994/4885
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 CSF1R 2973/4885KIT 1/4885CYP3A4 4130/4885

“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.