Sugi Predict

Sugi Predict / Compounds / SCHEMBL1667585

SCHEMBL1667585

SCHEMBL1667585

CC(C)COc1ccccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.50
▸ XDH P47989 3/20 0.47
▸ SLC22A12 Q96S37 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ADRB2 P07550 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44

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
SCHEMBL27750632 0.91 HTR1A (0.49) HTR1AADRA2AADRA2BMAOAHTR2B
Formamide SCHEMBL28158245 0.91 SMN1; SMN2 (0.51) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL8682019 0.86 MAOA (0.54) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL27736563 0.86 HTR1A (0.61) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL6456134 0.86 HTR1A (0.61) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL8682016 0.86 MAOA (0.54) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL7423104 0.84 MAOA (0.52) HTR1AADRA2AADRA2BMAOAHTR2B
Hydrochloric Acid SCHEMBL7425092 0.84 MAOA (0.52) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL7697256 0.84 HTR1A (0.52) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL7697257 0.84 HTR1A (0.52) HTR1AADRA2AADRA2BMAOAHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 — — CN claimed
CN-109293597-A A kind of preparation method of Febuxostat 安徽省庆云医药股份有限公司 2019-02-01 — — CN claimed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 — — EP claimed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 — — WO claimed
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 — — CN disclosed
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 — — CN disclosed
CN-105218479-B The new derivatives, preparation method and application of 2- [3- cyano-4-isobutoxy phenyl] -4- methylthiazol-5-formic acid 湘北威尔曼制药股份有限公司 2019-10-25 — — CN disclosed
CN-106470981-B The new derivatives, preparation method and application of 2- [3- cyano-4-isobutoxy phenyl] -4- methylthiazol-5-formic acid 湘北威尔曼制药股份有限公司 2019-05-07 — — CN disclosed
CN-109293597-A A kind of preparation method of Febuxostat 安徽省庆云医药股份有限公司 2019-02-01 — — CN disclosed
CN-109293597-A A kind of preparation method of Febuxostat 安徽省庆云医药股份有限公司 2019-02-01 — — CN disclosed
CN-106107406-A Improve the method for the stability of sweetness enhancers and comprise the compositions of stable sweetness enhancers 赛诺米克斯公司 2016-11-16 — — CN disclosed
CN-104968662-A Azole benzene derivative TEIJIN PHARMA LTD 2015-10-07 — — CN disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 — — EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885ADRA2A 263/4885ADRA2B 354/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 HTR1A 1245/4885ADRA2A 1353/4885ADRA2B 1908/4885

“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.