Sugi Predict

Sugi Predict / Compounds / SCHEMBL95954

SCHEMBL95954

SCHEMBL95954

C[C](C)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.48
▸ ELANE P08246 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LTA4H P09960 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CA5A P35218 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ BAX Q07812 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ LMNA P02545 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
SCHEMBL8540453 0.85 MAPT (0.49) ELANEMAPTALDH1A1HSP90AA1GAA
SCHEMBL547579 0.82 CA4 (0.48) CA4ELANEMAPTALDH1A1LTA4H
SCHEMBL1679224 0.82 CA4 (0.48) CA4ELANEMAPTALDH1A1LTA4H
SCHEMBL8538137 0.79 MAPT (0.49) MAPTTDP1
SCHEMBL9064775 0.78 CA4 (0.43) CA4ELANEMAPTALDH1A1LTA4H
SCHEMBL761789 0.78 CA4 (0.43) CA4ELANEMAPTALDH1A1LTA4H
SCHEMBL582104 0.78 ELANE (0.46) CA4ELANEMAPTALDH1A1LTA4H
SCHEMBL7050120 0.78 ALDH1A1 (0.45) CA4ELANEMAPTALDH1A1LTA4H
Acetic Acid Phenyl Ester SCHEMBL35500 0.78 ELANE (0.72) ELANEMAPTALDH1A1TSHRHSP90AA1
SCHEMBL13665356 0.78 CA4 (0.43) CA4ELANEMAPTALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823158-B Process for preparing 2- [ (3R) -3-methylmorpholin-4-yl ] -4- (1-methyl-1H-pyrazol-5-yl) -8- (1H-pyrazol-5-yl) -1, 7-naphthyridine 拜耳股份有限公司 2023-08-15 — — CN claimed
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 — — EP claimed
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US claimed
EP-3841101-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE Bayer Aktiengesellschaft (DE) 2021-06-30 — — EP claimed
CN-112823158-A Process for the preparation of 2- [ (3R) -3-methylmorpholin-4-yl ] -4- (1-methyl-1H-pyrazol-5-yl) -8- (1H-pyrazol-5-yl) -1, 7-naphthyridine 拜耳股份有限公司 2021-05-18 — — CN claimed
WO-2020039025-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2020-02-27 — — WO claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 — — EP claimed
EP-2508504-B1 PROCESS FOR PREPARATION OF CYCLOALKANEDICARBOXYLIC ACID MONOESTERS SUMITOMO CHEMICAL CO (JP) 2016-04-13 — — EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 — — EP claimed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 — — EP claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 — — US claimed
US-4806563-A THROMBOXANE A2 ANTAGONIST IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-21 — — US claimed
EP-0223518-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 — — EP claimed
WO-1987002983-A1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-21 — — WO claimed
EP-0140327-A2 Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 — — EP claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 — — US claimed
US-4171304-A 2-Iodomethylpenams CONNLAB HOLDINGS LIMITED (CA) 1979-10-16 — — US claimed
US-4036835-A Process for preparing cephalosporins SOCIETA' FARMACEUTICI ITALIA (IT) 1977-07-19 — — US claimed
US-4012381-A Process for preparing cephalosporins and intermediates SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1977-03-15 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE CYP1B1, CYP4B1, CYP1A1 CA4 4784/4885ELANE 4828/4885MAPT 2788/4885

“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.