SCHEMBL29428686

SCHEMBL29428686

c1ncc2c(n1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PNMT P11086 4/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
ASIC3 Q9UHC3 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR3A P46098 1/20 0.34
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2B P41595 4/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL397493 1.00 HTR2C (0.46) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL6767466 0.98 HTR2C (0.45) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL2452698 0.89 HTR2C (0.37) HTR2CCHRNB2CHRNA4PNMT
SCHEMBL2342848 0.86 CHRNB2 (0.48) HTR2CCHRNB2CHRNA4CHRM4CHRM5
SCHEMBL29772412 0.84 POLB (0.43) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL160968 0.84 POLB (0.43) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL6438259 0.84 CHRNB2 (0.47) HTR2CCHRNB2CHRNA4CHRM4CHRM5
Hydrochloric Acid SCHEMBL31126075 0.82 POLB (0.42) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL7009520 0.82 POLB (0.42) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL1195270 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655695-B Substituted furopyrimidine compounds as PDE1 inhibitors 达特神经科学有限公司 2025-05-27 CN claimed
WO-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 WO claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
CN-120152721-A Treatment of familial adenomatous polyposis with 13-membered macrolides 齐卡尼治疗股份有限公司 2025-06-13 CN disclosed
CN-111655695-B Substituted furopyrimidine compounds as PDE1 inhibitors 达特神经科学有限公司 2025-05-27 CN disclosed
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119768404-A Heteroaryl substituted pyridopyrrolidone derivatives, pharmaceutical compositions and uses thereof 上海海雁医药科技有限公司 2025-04-04 CN disclosed
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 CN disclosed
EP-4511375-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-02-26 EP disclosed
CN-116157400-B Heterocyclic derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-10-22 CN disclosed
WO-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 WO disclosed
EP-4077312-A1 SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES Janssen Pharmaceutica NV (BE) 2022-10-26 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
WO-2022206724-A1 HETEROCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-10-06 WO disclosed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 CN disclosed
CN-114867721-A Substituted straight-chain spiro derivatives 詹森药业有限公司 2022-08-05 CN disclosed
US-20220218734-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING UVEAL MELANOMA UNIV GENT (BE) 2022-07-14 US disclosed
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. 2022-06-23 US disclosed
CN-114269735-A Dihydro or tetrahydro quinazoline compound and intermediate, preparation method and application thereof 南京创济生物医药有限公司 2022-04-01 CN disclosed
WO-2022066646-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-31 WO 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 (2 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 HTR2C 503/4885CHRNB2 3262/4885CHRNA4 3990/4885
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HTR2C 4531/4885CHRNB2 4879/4885CHRNA4 4869/4885

“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.