SCHEMBL3727892

SCHEMBL3727892

C[C@H](NCc1ccnc2ccccc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
FAAH O00519 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 1/20 0.45
NR4A2 P43354 1/20 0.43
NSD2 O96028 1/20 0.43
CASP1 P29466 1/20 0.42
TACR1 P25103 5/20 0.42
USP5 P45974 1/20 0.42
XIAP P98170 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 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
SCHEMBL3727895 1.00 CYP1A2 (0.48) CYP1A2FAAHLOXL2ADAMTS4MMP13
SCHEMBL17612636 0.90 NSD2 (0.48) NSD2CASP1XIAPADORA2AADORA1
SCHEMBL3733711 0.86 MAPT (0.44) CYP1A2FAAHLOXL2ADAMTS4MMP13
SCHEMBL27632081 0.84 ELANE (0.48) CYP1A2FAAHLOXL2ADAMTS4MMP13
SCHEMBL27632279 0.84 ELANE (0.48) CYP1A2FAAHLOXL2ADAMTS4MMP13
SCHEMBL27500715 0.82 LOXL2 (0.53) CYP1A2FAAHLOXL2KDM4EALDH1A1
SCHEMBL26747851 0.78 APAF1 (0.52) CYP1A2FAAHLOXL2ADAMTS4MMP13
SCHEMBL15741913 0.78 KMT2A (0.63) KDM4EALDH1A1LMNAKMT2ATDP1
SCHEMBL8266181 0.78 LOXL2 (0.47) CYP1A2FAAHLOXL2CASP1TACR1
SCHEMBL2937018 0.77 CYP1A2 (0.54) CYP1A2FAAHLOXL2NSD2TACR1

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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 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 (3 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 CYP1A2 4827/4885FAAH 2593/4885LOXL2 4546/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 CYP1A2 3272/4885FAAH 3863/4885LOXL2 3892/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA CYP1A2 3012/4885FAAH 3095/4885LOXL2 4473/4885

“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.