SCHEMBL2406227

SCHEMBL2406227

CCc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ENPP1 P22413 1/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ USP2 O75604 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL2527359 0.88 MAPT (0.62) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL2403987 0.87 WNT3A (0.52) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL2403626 0.80 HTT (0.53) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL14475642 0.79 MAPT (0.59) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL2404684 0.78 SMN1; SMN2 (0.49) MAPTLMNARXFP1KMT2AMEN1
SCHEMBL2402559 0.78 SMN1; SMN2 (0.63) MAPTALDH1A1RAB9ALMNAKMT2A
SCHEMBL2403974 0.78 L3MBTL1 (0.48) MAPTRAB9ANPC1LMNATP53
SCHEMBL2404408 0.77 L3MBTL1 (0.52) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL2407520 0.77 ESR2 (0.44) MAPTALDH1A1LMNATP53RXFP1
SCHEMBL2402294 0.77 ALDH1A1 (0.55) MAPTALDH1A1LMNARXFP1NPSR1

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 7 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-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 MAPT 1255/4885ALDH1A1 1947/4885RAB9A 2495/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT MAPT 1122/4885ALDH1A1 2030/4885RAB9A 2563/4885

“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.

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