SCHEMBL2777640

SCHEMBL2777640

CC(C)N1CCN(Cc2cc(N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.44
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 1/20 0.43
USP2 O75604 3/20 0.42
CASP1 P29466 1/20 0.42
CASP5 P51878 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.40
TACR1 P25103 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.37
NR1H2 P55055 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL545449 0.84 LMNA (0.53) DDR1CYP2D6CYP3A4USP2CASP1
SCHEMBL545422 0.84 ALDH1A1 (0.47) CYP2D6CYP3A4USP2CASP1CASP5
SCHEMBL29543344 0.84 ALDH1A1 (0.47) CYP2D6CYP3A4USP2CASP1CASP5
SCHEMBL29777509 0.84 LMNA (0.53) DDR1CYP2D6CYP3A4USP2CASP1
SCHEMBL29967920 0.82 ALDH1A1 (0.58) CYP2D6CYP3A4USP2CASP1CASP5
SCHEMBL545692 0.82 ALDH1A1 (0.58) CYP2D6CYP3A4USP2CASP1CASP5
SCHEMBL4935986 0.82 ALDH1A1 (0.54) CYP2D6CYP3A4USP2CASP1CASP5
Hydrochloric Acid SCHEMBL30349712 0.81 ALDH1A1 (0.56) CYP2D6CYP3A4USP2CASP1CASP5
SCHEMBL545978 0.81 ALDH1A1 (0.60) CYP2D6CYP3A4USP2CASP1CASP5
SCHEMBL2780550 0.81 DDR1 (0.54) DDR1CYP2D6CYP3A4USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
CN-101291917-A Diaryl urea derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2008-10-22 CN disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US disclosed
CN-101031560-A Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2007-09-05 CN disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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 (2 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF DDR1 578/4885CYP2D6 934/4885CYP3A4 1890/4885
US-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA DDR1 888/4885CYP2D6 4398/4885CYP3A4 4660/4885

“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.