Sugi Predict

Sugi Predict / Compounds / SCHEMBL9772

SCHEMBL9772

SCHEMBL9772

CC(Cc1ccccn1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRA P18433 1/20 0.56
▸ FDPS P14324 1/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ PARP10 Q53GL7 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 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
SCHEMBL22421038 1.00 PTPRA (0.56) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL26945300 0.84 PTPRA (0.57) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL266499 0.84 PTPRA (0.67) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL20565432 0.84 PTPRA (0.57) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL14962122 0.84 PTPRA (0.67) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL23732839 0.84 PTPRA (0.57) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL9366687 0.83 PTPRA (0.56) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL2187235 0.82 PTPRA (0.59) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL27761201 0.82 PTPRA (0.59) PTPRAFDPSCYP1A2SMN1; SMN2TSHR
SCHEMBL10250742 0.81 PTPRA (0.57) PTPRAFDPSCYP1A2SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 — — CN claimed
EP-3315492-B1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2020-09-16 — — EP disclosed
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 — — US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 — — US disclosed
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 — — EP disclosed
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 — — US disclosed
CN-107428752-A Home chemokine inhibiting compounds 癌症研究科技有限公司 2017-12-01 — — CN disclosed
CN-103781763-B Amine derivatives as potassium channel blockers 生态学有限公司 2017-03-22 — — CN disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 — — US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 — — US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 — — US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 — — EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 — — WO disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 — — US disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 — — EP disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 — — CN disclosed
WO-2005117862-A1 TREATMENT OF URINARY CONDITIONS INCLUDING INCONTINENCE PFIZER LIMITED, (GB) 2005-12-15 — — WO disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 — — WO 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO PTPRA 3300/4885FDPS 1444/4885CYP1A2 3371/4885
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB PTPRA 2955/4885FDPS 3732/4885CYP1A2 2055/4885
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO PTPRA 3300/4885FDPS 1444/4885CYP1A2 3371/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 PTPRA 1751/4885FDPS 3415/4885CYP1A2 4353/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO PTPRA 3300/4885FDPS 1444/4885CYP1A2 3371/4885

“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.