Sugi Predict

Sugi Predict / Compounds / SCHEMBL84142

SCHEMBL84142

SCHEMBL84142

CC(C)(C)c1ccnc(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 5/20 0.63
▸ NOS2 P35228 5/20 0.63
▸ NOS1 P29475 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41

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
SCHEMBL14637261 0.83 NOS3 (0.70) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL1159469 0.83 NOS3 (0.59) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL22858669 0.83 NOS3 (0.59) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL18879382 0.81 NOS3 (0.57) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL18922136 0.79 NOS3 (0.55) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL30236677 0.78 NOS3 (0.53) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL23022146 0.77 NOS3 (0.63) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL29432593 0.77 NOS3 (1.00) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL59927 0.77 NOS3 (1.00) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL9474492 0.77 NOS3 (0.63) NOS3NOS2NOS1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940024-B Organic electroluminescent device and organometallic compound for organic electroluminescent device 三星显示有限公司 2025-03-11 — — CN disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 — — US disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 — — WO disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 — — US disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 — — EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 — — US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 — — WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 — — WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 — — WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 — — US disclosed
US-4267335-A Substituted 2,2'-bipyridyl compounds and process for preparing same REILLY TAR & CHEMICAL CORPORATION (US) 1981-05-12 — — US disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 — — US disclosed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 — — 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 (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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD NOS3 1849/4885NOS2 3128/4885NOS1 3585/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP NOS3 4183/4885NOS2 4586/4885NOS1 4189/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 NOS3 2828/4885NOS2 2735/4885NOS1 1893/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB NOS3 4398/4885NOS2 4645/4885NOS1 4656/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS NOS3 4701/4885NOS2 4817/4885NOS1 4833/4885

“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.