Sugi Predict

Sugi Predict / Compounds / SCHEMBL2196191

SCHEMBL2196191

SCHEMBL2196191

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ PIK3R2 O00459 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CHRNA7 P36544 2/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL2197388 0.89 HSD17B10 (0.56) HSD17B10PIK3CACNR2MAPTCHRNA7
SCHEMBL5980705 0.85 MEN1 (0.43) MRGPRX4HSD17B10PIK3CDPIK3R2BRD4
SCHEMBL17858460 0.83 CHRNA7 (0.57) HSD17B10MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5978772 0.82 CNR2 (0.44) HSD17B10MEN1KMT2AHCRTR1CNR2
SCHEMBL15697494 0.80 ALDH1A1 (0.54) HSD17B10MEN1KMT2AMAPTNPC1
SCHEMBL17858381 0.77 MAPT (0.49) MRGPRX4HSD17B10MEN1KMT2AHCRTR1
SCHEMBL12260955 0.77 CHRNA7 (0.63) CHRNA7HTR3A
SCHEMBL12237722 0.77 CHRNA7 (0.63) CHRNA7HTR3A
Hydrochloric Acid SCHEMBL2196032 0.76 CHRNA7 (0.62) CHRNA7HTR3A
SCHEMBL18108552 0.74 AURKA (0.49) MEN1KMT2AMAPTNPC1RAB9A

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
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — US disclosed
CN-1675204-A 2-heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2005-09-28 — — CN 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 MRGPRX4 459/4885HSD17B10 2306/4885PIK3CD 2701/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C MRGPRX4 459/4885HSD17B10 2306/4885PIK3CD 2701/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C MRGPRX4 459/4885HSD17B10 2306/4885PIK3CD 2701/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C MRGPRX4 459/4885HSD17B10 2306/4885PIK3CD 2701/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C MRGPRX4 459/4885HSD17B10 2306/4885PIK3CD 2701/4885

“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.