SCHEMBL2408024

SCHEMBL2408024

COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(C)c3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.53
MAPT P10636 13/20 0.53
RXFP1 Q9HBX9 3/20 0.53
FPR1 P21462 1/20 0.50
FPR2 P25090 1/20 0.50
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2533345 0.91 TP53 (0.51) TP53MAPTRXFP1POLBLMNA
SCHEMBL2405407 0.90 MAPT (0.56) TP53MAPTPOLBGAALMNA
SCHEMBL2405313 0.87 ESR2 (0.52) TP53MAPTRXFP1FPR2POLB
SCHEMBL2406353 0.86 MAPT (0.56) TP53MAPTRXFP1FPR1FPR2
SCHEMBL2403608 0.85 TP53 (0.55) TP53MAPTRXFP1FPR1FPR2
SCHEMBL2404836 0.85 CHKA (0.57) TP53MAPTRXFP1FPR1FPR2
SCHEMBL2403778 0.85 MAPT (0.49) TP53MAPTRXFP1POLBSMN1; SMN2
SCHEMBL2403784 0.83 RAB9A (0.54) TP53MAPTRXFP1POLBSMN1; SMN2
SCHEMBL2403795 0.83 MAPT (0.57) TP53MAPTRXFP1POLBLMNA
SCHEMBL2404323 0.83 GAA (0.52) TP53MAPTGAA

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 12 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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 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 (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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics CHKA, CHKB, CEPT1 TP53 1116/4885MAPT 1448/4885RXFP1 3392/4885
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CHKB, CHKA, CHAT TP53 743/4885MAPT 1255/4885RXFP1 4256/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT TP53 707/4885MAPT 1122/4885RXFP1 4266/4885

“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.