SCHEMBL2407950

SCHEMBL2407950

CCc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.56
FPR2 P25090 2/20 0.55
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 3/20 0.52
POLB P06746 1/20 0.52
TP53 P04637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51

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
SCHEMBL2433374 0.91 FPR2 (0.56) CHKAFPR2MAPTSMN1; SMN2POLB
SCHEMBL2530593 0.90 CHKA (0.70) CHKAFPR2RXFP1MAPTSMN1; SMN2
SCHEMBL2406594 0.88 FPR2 (0.62) FPR2RXFP1MAPTSMN1; SMN2PKM
SCHEMBL2404195 0.87 MAPT (0.56) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL2405492 0.87 MAPT (0.54) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2403437 0.85 MAPT (0.57) FPR2MAPTTP53TSHR
SCHEMBL2404068 0.84 KMT2A (0.56) FPR2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2407502 0.84 FPR2 (0.52) FPR2RXFP1MAPTSMN1; SMN2POLB
SCHEMBL2405181 0.84 MAPT (0.61) FPR2MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2404408 0.83 L3MBTL1 (0.52) FPR2RXFP1MAPTSMN1; SMN2RAB9A

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 CHKA 2/4885FPR2 4877/4885RXFP1 4256/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT CHKA 2/4885FPR2 4863/4885RXFP1 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.