SCHEMBL2407385

SCHEMBL2407385

COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 2/20 0.52
TP53 P04637 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL2403784 0.92 RAB9A (0.54) MAPTTP53RAB9AALDH1A1MAPK1
SCHEMBL2404323 0.91 GAA (0.52) MAPTGAATP53RAB9AALDH1A1
SCHEMBL2404613 0.91 MAPT (0.60) MAPTGAATP53RAB9AALDH1A1
SCHEMBL2529817 0.90 RXFP1 (0.56) MAPTGAATP53ALDH1A1KMT2A
SCHEMBL2403378 0.89 ALDH1A1 (0.65) MAPTTP53RAB9AALDH1A1MAPK1
SCHEMBL2404231 0.89 GAA (0.63) MAPTGAATP53RAB9AALDH1A1
SCHEMBL2407378 0.87 MAPT (0.51) MAPTTP53RAB9AALDH1A1MAPK1
SCHEMBL2402371 0.87 MAPT (0.54) MAPTGAATP53ALDH1A1KDM4E
SCHEMBL2405915 0.85 KMT2A (0.57) MAPTGAAALDH1A1MAPK1TSHR
SCHEMBL2403778 0.85 MAPT (0.49) MAPTGAATP53RAB9AALDH1A1

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 11 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-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 MAPT 1448/4885GAA 829/4885TP53 1116/4885
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CHKB, CHKA, CHAT MAPT 1255/4885GAA 717/4885TP53 743/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT MAPT 1122/4885GAA 679/4885TP53 707/4885

“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.