SCHEMBL2780550

SCHEMBL2780550

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.54
USP2 O75604 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.44
CYP2D6 P10635 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 3/20 0.42
HIF1A Q16665 1/20 0.42
MGLL Q99685 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL30211921 0.86 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19TSHR
SCHEMBL16380757 0.86 CSF1R (0.49) DDR1USP2CYP1A2CYP2C19TSHR
SCHEMBL2777640 0.81 DDR1 (0.44) DDR1USP2CYP1A2CYP2C19TSHR
SCHEMBL3311684 0.76 HRH3 (0.64) PARP1PARP2HRH3
SCHEMBL2707798 0.75 DDR1 (0.56) DDR1HRH3ALDH1A1
SCHEMBL23795672 0.74 USP2 (0.50) DDR1USP2CYP1A2CYP2C19TSHR
SCHEMBL30934698 0.74 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19TSHR
SCHEMBL15846718 0.74 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19TSHR
SCHEMBL12123079 0.74 KDM4E (0.67) ALDH1A1TACR1
SCHEMBL29129019 0.73 DDR1 (0.52) DDR1USP2CYP1A2CYP2C19TSHR

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 2 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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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 (1 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 578/4885USP2 233/4885CYP1A2 1021/4885

“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.