Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002822

SCHEMBL1002822

SCHEMBL1002822

C[C@@H](N)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.44
▸ ADRA1D P25100 4/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ ADRA1B P35368 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.39

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
SCHEMBL5861621 1.00 GLA (0.44) GLAADRA1DADRA1AADRA2BS1PR1
SCHEMBL30554313 1.00 GLA (0.44) GLAADRA1DADRA1AADRA2BS1PR1
SCHEMBL1719895 1.00 GLA (0.44) GLAADRA1DADRA1AADRA2BS1PR1
Hydrochloric Acid SCHEMBL30291498 0.98 ADRA1D (0.44) GLAADRA1DADRA1AADRA2BS1PR1
Hydrochloric Acid SCHEMBL29824107 0.98 ADRA1D (0.44) GLAADRA1DADRA1AADRA2BS1PR1
Hydrochloric Acid SCHEMBL29215853 0.98 ADRA1D (0.44) GLAADRA1DADRA1AADRA2BS1PR1
Hydrochloric Acid SCHEMBL1003370 0.98 ADRA1D (0.44) GLAADRA1DADRA1AADRA2BS1PR1
Hydrochloric Acid SCHEMBL1669311 0.98 ADRA1D (0.44) GLAADRA1DADRA1AADRA2BS1PR1
SCHEMBL27470287 0.87 S1PR1 (0.41) GLAADRA1DADRA1AADRA2BS1PR1
SCHEMBL2939744 0.83 GRM4 (0.44) GLAADRA1DADRA1AADRA2BS1PR1

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 — — EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 — — US claimed
EP-4600243-A2 NOVEL BICYCLIC HETEROCYCLYL COMPOUNDS AND USE THEREOF Jeil Pharmaceutical Co., Ltd. (KR) 2025-08-13 — — EP disclosed
US-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES MEDSHINE DISCOVERY INC. (CN) 2024-06-27 — — US disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 — — WO disclosed
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 — — WO disclosed
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2023-06-22 — — US disclosed
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2023-06-22 — — US disclosed
US-11299457-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-04-12 — — US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 — — US disclosed
WO-2011044307-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2011-04-14 — — WO disclosed
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 — — US disclosed
EP-2269989-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-05 — — EP disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 — — US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 — — US disclosed
US-7119189-B2 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses NOVARTIS AG (CH) 2006-10-10 — — US disclosed
EP-0907731-B1 METABOTROPIC GABA(B) RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES NOVARTIS AG (CH) 2005-03-02 — — EP disclosed
US-20020091250-A1 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses NOVARTIS AG (CH) 2002-07-11 — — 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 (8 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 GLA 3094/4885ADRA1D 2872/4885ADRA1A 4237/4885
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF ADRA1D, ADRB1, ADRB2 GLA 3541/4885ADRA1D 1/4885ADRA1A 4/4885
US-11299457-B2 Chemical compounds AR, NR5A1, ESRRA GLA 2180/4885ADRA1D 586/4885ADRA1A 603/4885
US-20020091250-A1 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses GABBR1, GABBR2, GABRB1 GLA 4869/4885ADRA1D 714/4885ADRA1A 557/4885
US-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES CYP3A7, UGT2B7, CYP51A1 GLA 1688/4885ADRA1D 3773/4885ADRA1A 3070/4885
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GLA 788/4885ADRA1D 35/4885ADRA1A 281/4885
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST GLA 1861/4885ADRA1D 3445/4885ADRA1A 3570/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 GLA 3094/4885ADRA1D 2872/4885ADRA1A 4237/4885

“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.