Sugi Predict

Sugi Predict / Compounds / SCHEMBL2197388

SCHEMBL2197388

SCHEMBL2197388

O=C(O)c1cc2cccc(-c3ccc(N4CCOCC4)cc3)c2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.56
▸ PIK3R1 P27986 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ KMO O15229 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ CFTR P13569 8/20 0.45
▸ PRKDC P78527 1/20 0.44
▸ CHRNA7 P36544 2/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ STK17B O94768 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42

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
SCHEMBL2196191 0.89 MRGPRX4 (0.45) HSD17B10PIK3CACNR2CFTRPRKDC
SCHEMBL5978772 0.84 CNR2 (0.44) HSD17B10KMOCNR2CFTRPRKDC
SCHEMBL17858490 0.81 CHRNA7 (0.58) HSD17B10PIK3R1PIK3CAKMOCHRNA7
SCHEMBL5980705 0.80 MEN1 (0.43) HSD17B10PIK3CACNR2CFTRPRKDC
SCHEMBL15697559 0.79 BCL2L1 (0.54) HSD17B10CHRNA7HTR3AKDM4EALDH1A1
SCHEMBL12237722 0.78 CHRNA7 (0.63) CHRNA7HTR3A
SCHEMBL12260955 0.78 CHRNA7 (0.63) CHRNA7HTR3A
Hydrochloric Acid SCHEMBL2196032 0.78 CHRNA7 (0.62) CHRNA7HTR3A
SCHEMBL18889279 0.77 RIPK1 (0.69) HPGDL3MBTL1
SCHEMBL18889237 0.77 MAPK14 (0.50) CHRNA7HTR3AKDM4EMAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 — — US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 — — US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 — — US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 — — US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 — — US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 — — US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 — — US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 — — US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 — — US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 — — US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 — — US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 — — US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 — — US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 — — US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 — — US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 — — US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 — — US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 — — US disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 — — EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — 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 (5 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-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C HSD17B10 2306/4885PIK3R1 3513/4885PIK3CA 3903/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C HSD17B10 2306/4885PIK3R1 3513/4885PIK3CA 3903/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C HSD17B10 2306/4885PIK3R1 3513/4885PIK3CA 3903/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C HSD17B10 2306/4885PIK3R1 3513/4885PIK3CA 3903/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C HSD17B10 2306/4885PIK3R1 3513/4885PIK3CA 3903/4885

“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.