SCHEMBL696046

SCHEMBL696046

N#CCc1cc(F)c(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.37
CYP2A6 P11509 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
NOS2 P35228 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL29257625 0.88 CSNK2A1 (0.37) CSNK2A1CYP2A6GPR84HTR2ASLC6A4
SCHEMBL30408342 0.82 CSNK2A1 (0.44) CSNK2A1CYP2A6KCNH2KDM1AKDM1B
SCHEMBL14810674 0.82 CSNK2A1 (0.44) CSNK2A1CYP2A6KCNH2KDM1AKDM1B
SCHEMBL3369370 0.82 CSNK2A1 (0.44) CSNK2A1CYP2A6GPR84HTR2ASLC6A4
SCHEMBL24384654 0.79 CSNK2A1 (0.44) CSNK2A1CYP2A6KDM1AKDM1BESR1
SCHEMBL3365689 0.79 CSNK2A1 (0.44) CSNK2A1CYP2A6GPR84
SCHEMBL10472977 0.79 CSNK2A1 (0.34) CSNK2A1CYP2A6
SCHEMBL5107620 0.78 HTR2A (0.44) HTR2ASLC6A4KCNH2TDP1MAPT
SCHEMBL8896950 0.77 CYP2A6 (0.36) CSNK2A1CYP2A6ESR1ESR2
SCHEMBL194793 0.75 CD44 (0.37) CSNK2A1CYP2A6TDP1MAPTL3MBTL1

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-2889287-B1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME CELLTRION INC (KR) 2016-08-31 EP disclosed
US-9278996-B2 Dolastatin-10 derivative, method of producing the same and anticancer drug composition containing the same CELLTRION, INC. (KR) 2016-03-08 US disclosed
US-20150225455-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING THE SAME AND ANTICANCER DRUG COMPOSITION CONTAINING THE SAME CELLTRION, INC. (KR) 2015-08-13 US disclosed
EP-2889287-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME Celltrion, Inc. (KR) 2015-07-01 EP disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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 (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-20150225455-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING THE SAME AND ANTICANCER DRUG COMPOSITION CONTAINING THE SAME DAD1, DDOST, SCD5 CSNK2A1 1702/4885CYP2A6 1809/4885GPR84 4285/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CSNK2A1 2100/4885CYP2A6 1212/4885GPR84 1157/4885

“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.