Sugi Predict

Sugi Predict / Compounds / SCHEMBL2371076

SCHEMBL2371076

SCHEMBL2371076

CC(C(N)=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ CYP19A1 P11511 2/20 0.47
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ FFAR2 O15552 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 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
SCHEMBL7767500 1.00 EPHX1 (0.53) EPHX1CYP19A1ROCK2ROCK1ALDH1A1
SCHEMBL9111312 0.82 CYP19A1 (0.50) CYP19A1ROCK2ROCK1ALDH1A1L3MBTL1
SCHEMBL1690400 0.80 AKR1C3 (0.56) CYP19A1ALDH1A1CYP3A4PTGS2AKR1C3
SCHEMBL11879035 0.80 CYP19A1 (0.49) EPHX1CYP19A1ROCK2ROCK1ALDH1A1
SCHEMBL14537418 0.80 AKR1C3 (0.56) CYP19A1ALDH1A1CYP3A4PTGS2AKR1C3
SCHEMBL306354 0.79 CA1 (0.44) CYP19A1ALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL28909154 0.79 FFAR2 (0.47) CYP19A1ROCK2ROCK1ALDH1A1L3MBTL1
SCHEMBL9485450 0.79 CYP19A1 (0.49) EPHX1CYP19A1ROCK2ROCK1ALDH1A1
Hydrochloric Acid SCHEMBL8937692 0.78 AKR1C3 (0.54) CYP19A1ROCK2ROCK1ALDH1A1CYP3A4
SCHEMBL11838106 0.78 CYP19A1 (0.47) CYP19A1ROCK2ROCK1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188551-B1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-12-18 — — EP claimed
EP-4188551-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP claimed
CN-108699005-A 3- (carboxy ethyl) -8- amino -2- oxo -1,3- aza-spiros-[4.5]Decane derivative 格吕伦塔尔有限公司 2018-10-23 — — CN claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 — — CN claimed
EP-4543543-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D ESCIENT PHARMACEUTICALS, INC. (US) 2025-04-30 — — EP disclosed
WO-2023250181-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-28 — — WO disclosed
EP-4041230-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 — — EP disclosed
CN-104822267-B The inhibitor and its application method that hepatitis b virus covalence closed cyclic DNA is formed 巴鲁克·S·布伦博格研究所 2018-01-23 — — CN disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 — — US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 — — US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 — — CN disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 — — US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 — — US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 — — WO disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 — — CN disclosed
EP-0206623-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-10-24 — — EP disclosed
US-4771058-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-09-13 — — US disclosed
US-4728648-A HI-RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-03-01 — — US disclosed
EP-0206623-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-12-30 — — EP disclosed
EP-0194746-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-09-17 — — EP 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 EPHX1 1677/4885CYP19A1 1236/4885ROCK2 366/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 EPHX1 1677/4885CYP19A1 1236/4885ROCK2 366/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 EPHX1 1677/4885CYP19A1 1236/4885ROCK2 366/4885

“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.