SCHEMBL7747249

SCHEMBL7747249

CCc1ccc(N)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.64
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 2/20 0.52
S100B P04271 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 2/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TRPA1 O75762 1/20 0.43
RAD52 P43351 3/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 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
SCHEMBL27496376 0.87 SKP2 (0.56) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL237201 0.83 SKP2 (0.61) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL31079561 0.83 SKP2 (0.61) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL841783 0.83 SKP2 (0.73) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL31634603 0.83 SKP2 (0.73) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL7747145 0.82 SKP2 (0.78) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL5683375 0.81 SKP2 (0.46) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL6223652 0.81 SKP2 (0.59) SKP2CYP3A4ALDH1A1TDP1TSHR
Ammonia Solution, Strong SCHEMBL22344976 0.81 SKP2 (0.59) SKP2CYP3A4ALDH1A1TDP1TSHR
SCHEMBL3482834 0.81 SKP2 (0.70) SKP2CYP3A4ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113813982-A Integral N-modified TS-1 catalyst carrier and preparation method thereof 华东理工大学 2021-12-21 CN claimed
CN-113396137-A Method for producing 1,1, 1-trifluoro-2, 2-bisarylethane, and 1,1, 1-trifluoro-2, 2-bisarylethane 中央硝子株式会社 2021-09-14 CN claimed
WO-2025049824-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS, PBC (US) 2025-03-06 WO disclosed
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2024-11-21 US disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 US disclosed
CN-114621118-B Lignin-based diphenylmethane diisocyanate and application thereof in preparation of polyurethane material 南京工业大学 2023-12-01 CN disclosed
CN-115650861-B Application of lignin-based polyurethane chain extender in preparation of polyurethane material 南京工业大学 2023-11-24 CN disclosed
CN-113412299-B Polyamic acid and polyimide, optical film and display device, and method for producing same 中央硝子株式会社 2023-08-18 CN disclosed
CN-116194435-A Fluorine-containing diamine or salt thereof, method for producing fluorine-containing diamine or salt thereof, polyamide, method for producing polyamide, polyamide solution, polyamide cyclized body, method for producing polyamide cyclized body, insulating material for high-frequency electronic component, method for producing insulating material for high-frequency electronic component, high-frequency machine, and insulating material for producing high-frequency electronic component 中央硝子株式会社 2023-05-30 CN disclosed
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 US disclosed
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4297297-A α-Cyano-β-(substituted-anilino)-N-ethoxycarbonylacrylamide intermediates ZOECON CORP. (US) 1981-10-27 US disclosed
US-4266056-A FUNGICIDES, BACTERICIDES ZOECON CORPORATION (US) 1981-05-05 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4173645-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed
EP-0003101-A1 Substituted N-cyclohexyl isothiourea, their preparation and their use as pesticides BAYER AG (DE) 1979-07-25 EP disclosed
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 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 (4 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-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN SKP2 747/4885CYP3A4 3311/4885ALDH1A1 4036/4885
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ADORA2A, ADORA1, ADORA3 SKP2 2343/4885CYP3A4 4559/4885ALDH1A1 1415/4885
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 SKP2 752/4885CYP3A4 3769/4885ALDH1A1 3938/4885
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN SKP2 747/4885CYP3A4 3311/4885ALDH1A1 4036/4885

“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.