SCHEMBL3569954

SCHEMBL3569954

CCOC(=O)c1ccc(CC2CCN(C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.54
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 0.40
DRD3 P35462 1/20 0.40
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
FDFT1 P37268 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16528368 0.89 DDR1 (0.45) DDR1CYP2C9ALDH1A1KDM4EHSD17B10
SCHEMBL15357907 0.86 EPHX2 (0.50) DDR1ALDH1A1KDM4EPOLBMAPT
SCHEMBL3557511 0.85 DDR1 (0.56) DDR1CYP2C9
SCHEMBL272846 0.84 DDR1 (0.55) DDR1CYP2C9ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3555518 0.83 DDR1 (0.57) DDR1CYP2C9HTR2A
SCHEMBL374710 0.82 NR1H2 (0.57) DDR1ALDH1A1KDM4EPOLB
SCHEMBL19073475 0.81 DDR1 (0.53) DDR1CYP2C9
SCHEMBL19072901 0.79 DDR1 (0.51) DDR1CYP2C9HTR2A
SCHEMBL12426560 0.78 DDR1 (0.46) DDR1
SCHEMBL10973660 0.78 CA12 (0.51) CYP2C9ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
CN-101456841-B Amide derivative and medicine NIPPON SHINYAKU CO LTD 2012-01-25 CN disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
CN-100526298-C Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2009-08-12 CN disclosed
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 CN disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 CN disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 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-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR DDR1 953/4885CYP2C9 782/4885ALDH1A1 518/4885

“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.