SCHEMBL2403804

SCHEMBL2403804

COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
MAPT P10636 5/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48

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
SCHEMBL2531172 0.90 MAPT (0.57) TP53MAPTPKMKDM4EPOLB
SCHEMBL2403608 0.89 TP53 (0.55) TP53MAPTRXFP1LMNAALDH1A1
SCHEMBL2407603 0.84 CHKA (0.52) MAPTPKMSMN1; SMN2KDM4ERAB9A
SCHEMBL2404296 0.84 LMNA (0.53) TP53MAPTPKMRAB9APOLB
SCHEMBL2404478 0.83 THRB (0.59) TP53MAPTPKMSMN1; SMN2KDM4E
SCHEMBL18540518 0.82 GRK6 (0.51) TP53MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL14907739 0.82 GRK6 (0.63) TP53MAPTKDM4EALDH1A1
SCHEMBL2405644 0.81 THRB (0.51) TP53MAPTPKMSMN1; SMN2POLB
SCHEMBL2405645 0.81 THRB (0.51) TP53MAPTPKMSMN1; SMN2POLB
SCHEMBL2534523 0.81 CHKA (0.68) TP53MAPTKDM4EPOLBLMNA

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.