SCHEMBL4884670

SCHEMBL4884670

CC1(C)C(=O)N(c2ccc(N3CCCCC3)cc2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.34
TRPV1 Q8NER1 5/20 0.33
CYP3A4 P08684 5/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 2/20 0.33
PKM P14618 1/20 0.33
HIF1A Q16665 3/20 0.32
TRIP13 Q15645 1/20 0.32
CHKA P35790 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 2/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL4890256 0.84 NAMPT (0.40) IGF1RCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL4879679 0.84 NR1H2 (0.36) IGF1RCYP3A4TSHRALDH1A1CYP2C9
SCHEMBL4884428 0.83 IGF1R (0.33) IGF1RCYP3A4CYP2C9TRIP13CYP2C19
SCHEMBL4885935 0.83 IGF1R (0.39) IGF1RCYP3A4ALDH1A1CYP2C9TRIP13
SCHEMBL4882154 0.81 IGF1R (0.32) IGF1R
SCHEMBL4888699 0.80 MAPT (0.34) IGF1RALDH1A1
SCHEMBL3729237 0.80 DRD2 (0.36) IGF1RALDH1A1TDP1
SCHEMBL5478685 0.79 KDM4E (0.32)
SCHEMBL2940400 0.78 IGF1R (0.35) IGF1RMEN1KMT2A
SCHEMBL5484507 0.77 FLT1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1621535-A1 Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP claimed
US-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-01-24 US disclosed
EP-1773809-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006010643-A1 SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 WO disclosed
EP-1621535-A1 Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP 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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors PRKAR2B, PRKG2, PRKG1 IGF1R 878/4885TRPV1 3917/4885CYP3A4 2057/4885

“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.