SCHEMBL1042402

SCHEMBL1042402

c1ccc(CNCc2cccnc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.88
CYP2D6 P10635 1/20 0.88
ALDH1A1 P00352 4/20 0.73
NPSR1 Q6W5P4 1/20 0.73
MAPK1 P28482 2/20 0.69
HTT P42858 1/20 0.67
LTA4H P09960 1/20 0.67
CHRM2 P08172 1/20 0.65
POLB P06746 2/20 0.63
TP53 P04637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ADRA2C P18825 1/20 0.60
KEAP1 Q14145 1/20 0.57
LMNA P02545 1/20 0.57

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
Hydrochloric Acid SCHEMBL27688899 0.98 CYP1A2 (0.84) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL10054984 0.94 CYP1A2 (0.91) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL2861457 0.94 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL29761159 0.92 CYP1A2 (0.74) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
Hydrochloric Acid SCHEMBL6121350 0.91 CYP1A2 (0.95) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL27297474 0.91 ALDH1A1 (0.73) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL22304865 0.88 CYP1A2 (0.88) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
Nicotinaldehyde SCHEMBL25376387 0.87 CYP1A2 (0.66) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL14931895 0.86 CYP1A2 (0.84) CYP1A2CYP2D6ALDH1A1NPSR1MAPK1
SCHEMBL19031318 0.85 CYP1A2 (0.83) CYP1A2CYP2D6ALDH1A1NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN claimed
CN-121574970-A Amide hydrolase mutant and application of amide hydrolase mutant in production of nicotinic acid 江西海文生物科技有限公司 2026-02-27 CN disclosed
US-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN disclosed
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-2776486-B1 EPOXY RESIN CURING AGENT WITH PYRIDINYL GROUPS SIKA TECH AG (CH) 2018-09-26 EP disclosed
US-9394399-B2 Hardeners for epoxy resins, which comprise pyridinyl groups SIKA TECHNOLOGY AG (CH) 2016-07-19 US disclosed
US-20140316080-A1 HARDENERS FOR EPOXY RESINS, WHICH COMPRISE PYRIDINYL GROUPS SIKA TECHNOLOGY AG (CH) 2014-10-23 US disclosed
CN-1027447-C Insecticidal/acaricidal composition containing alpha-unsaturated amine TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-18 CN disclosed
CN-1093083-A The method for preparing α-unsaturated amine or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-05 CN disclosed
CN-1091737-A The method for preparing amine compound or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-09-07 CN disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
CN-1031079-A Alpha-unsaturated amines, process for their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-02-15 CN disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 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 (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-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 CYP1A2 6/4885CYP2D6 36/4885ALDH1A1 29/4885

“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.