SCHEMBL4041606

SCHEMBL4041606

[CH2]C1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.58
BCHE P06276 6/20 0.57
BACE1 P56817 6/20 0.57
CCR3 P51677 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL7044302 1.00 ACHE (0.58) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL17986116 1.00 ACHE (0.58) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL22829165 0.89 CYP2D6 (0.66) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL5304176 0.89 CYP2D6 (0.66) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL1232375 0.89 ACHE (0.67) ACHEBCHEBACE1CCR3ALDH1A1
SCHEMBL5851129 0.88 CYP2D6 (0.59) ACHEBCHEBACE1CCR3CYP1A2
Hydrochloric Acid SCHEMBL28439633 0.87 ACHE (0.65) ACHEBCHEBACE1CCR3ALDH1A1
SCHEMBL3846308 0.80 ALDH1A1 (0.58) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL6972698 0.79 ACHE (0.59) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL5858096 0.79 ACHE (0.59) ACHEBCHEBACE1CCR3CYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. 2024-05-23 US disclosed
EP-4301363-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS Nikang Therapeutics, Inc. (US) 2024-01-10 EP disclosed
CN-117255684-A Quinazolinamine derivatives as KRAS inhibitors 尼坎治疗公司 2023-12-19 CN disclosed
US-10959432-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-03-30 US disclosed
US-10757941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-09-01 US disclosed
US-20200267986-A1 Microbiocidal Oxadiazole Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US disclosed
US-10687533-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-06-23 US disclosed
EP-3439477-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
US-20190274304-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 US disclosed
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
US-20030100588-A1 Indole-type inhibitors of p38 kinase SCIOS, INC. 2003-05-29 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 (8 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-10959432-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ACHE 832/4885BCHE 1301/4885BACE1 712/4885
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS ACHE 4783/4885BCHE 4120/4885BACE1 3830/4885
US-10687533-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ACHE 832/4885BCHE 1301/4885BACE1 712/4885
US-20030100588-A1 Indole-type inhibitors of p38 kinase CNKSR1, MAPK1, MAP2K6 ACHE 4718/4885BCHE 4795/4885BACE1 3717/4885
US-10757941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ACHE 816/4885BCHE 1343/4885BACE1 762/4885
US-20200267986-A1 Microbiocidal Oxadiazole Derivatives PRF1, NOX1, ARG1 ACHE 832/4885BCHE 1301/4885BACE1 712/4885
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 ACHE 832/4885BCHE 1301/4885BACE1 712/4885
US-20190274304-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 ACHE 816/4885BCHE 1343/4885BACE1 762/4885

“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.