SCHEMBL2403580

SCHEMBL2403580

CCc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.51
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 6/20 0.46
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
BLM P54132 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ESR2 Q92731 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
MEN1 O00255 2/20 0.42
CASP6 P55212 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2402371 0.92 MAPT (0.54) POLBRXFP1KMT2AMAPTGAA
SCHEMBL2403291 0.91 ALDH1A1 (0.49) POLBKMT2ARAB9AMAPTGAA
SCHEMBL2403573 0.91 MAPT (0.48) POLBKMT2ANPC1RAB9AMAPT
SCHEMBL2403998 0.89 TP53 (0.42) POLBRXFP1KMT2ANPC1MAPT
SCHEMBL2528853 0.87 RXFP1 (0.66) POLBRXFP1KMT2ANPC1RAB9A
SCHEMBL2403784 0.87 RAB9A (0.54) POLBRXFP1KMT2ANPC1RAB9A
SCHEMBL12269738 0.86 GAA (0.52) POLBRXFP1KMT2ANPC1RAB9A
SCHEMBL2402578 0.85 GAA (0.52) POLBKMT2ANPC1RAB9AMAPT
SCHEMBL2405771 0.85 KMT2A (0.53) RXFP1KMT2ANPC1RAB9AMAPT
SCHEMBL2403847 0.85 ESR2 (0.50) POLBRXFP1KMT2ANPC1RAB9A

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
US-9381172-B2 Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-07-05 US disclosed
US-9381172-B2 Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-07-05 US disclosed
US-9381172-B2 Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-07-05 US disclosed
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-10 US disclosed
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-10 US disclosed
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-10 US disclosed
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CLEM BRIAN 2011-09-01 US disclosed
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CLEM BRIAN 2011-09-01 US disclosed
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CLEM BRIAN 2011-09-01 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-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CHKB, CHKA, CHAT POLB 1859/4885RXFP1 4256/4885KMT2A 670/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT POLB 1624/4885RXFP1 4266/4885KMT2A 757/4885

“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.