SCHEMBL2404296

SCHEMBL2404296

Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHKA P35790 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MPO P05164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 1/20 0.48
THRB P10828 1/20 0.47
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2404478 0.87 THRB (0.59) LMNAMEN1KMT2ACHKAL3MBTL1
SCHEMBL2403816 0.86 LMNA (0.52) LMNAMEN1KMT2AL3MBTL1MPO
SCHEMBL2407603 0.86 CHKA (0.52) LMNAMEN1KMT2ACHKAL3MBTL1
SCHEMBL2405645 0.85 THRB (0.51) LMNAMEN1KMT2ACHKAL3MBTL1
SCHEMBL2405644 0.85 THRB (0.51) LMNAMEN1KMT2ACHKAL3MBTL1
SCHEMBL2404491 0.84 MPO (0.53) LMNAMEN1KMT2AL3MBTL1MPO
SCHEMBL2403608 0.84 TP53 (0.55) LMNAMEN1KMT2ACHKATHRB
SCHEMBL2405599 0.84 LMNA (0.50) LMNAMEN1KMT2ACHKATHRB
SCHEMBL2403804 0.84 TP53 (0.52) LMNAPKMMAPTTP53RAB9A
SCHEMBL2404607 0.83 ESR2 (0.53) LMNAMEN1KMT2ACHKAL3MBTL1

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 LMNA 1499/4885MEN1 855/4885KMT2A 670/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT LMNA 1657/4885MEN1 765/4885KMT2A 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.