SCHEMBL29507540

SCHEMBL29507540

c1cncc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.87
CHRNA4 P43681 8/20 0.87
ADRB2 P07550 1/20 0.60
NCF1 P14598 1/20 0.60
PLD1 Q13393 1/20 0.60
ALDH1A1 P00352 1/20 0.59
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
ADRB1 P08588 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
CHRNA7 P36544 2/20 0.56
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54

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
SCHEMBL5335 1.00 CHRNB2 (0.87) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL3538787 1.00 CHRNB2 (0.87) CHRNB2CHRNA4ADRB2NCF1PLD1
Hydrochloric Acid SCHEMBL9066315 0.98 CHRNB2 (0.84) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL3061045 0.93 CHRNB2 (1.00) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL6350076 0.92 CHRNB2 (0.91) CHRNB2CHRNA4ADRB2NCF1PLD1
SCHEMBL3065598 0.90 CHRNB2 (0.94) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4
SCHEMBL5171064 0.89 CHRNB2 (0.71) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4
SCHEMBL5655866 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL28210749 0.86 CHRNB2 (0.67) CHRNB2CHRNA4ADRB2NCF1PLD1
Fumaric Acid SCHEMBL27454231 0.86 CHRNB2 (0.67) CHRNB2CHRNA4ADRB2NCF1PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924976-A Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-24 CN claimed
CN-114806414-B Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2023-07-11 CN claimed
CN-114806414-A Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2022-07-29 CN claimed
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN claimed
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
CN-122059950-A Compounds with proteasome agonistic activity, preparation method and application thereof 浙大城市学院 2026-05-19 CN disclosed
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
EP-4739684-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
US-20260078114-A1 COMPOUND USED AS INHIBITOR OF CDK4 KINASE AND USE THEREOF TYK MEDICINES INC (CN) 2026-03-19 US disclosed
CN-121574100-A Aminopyrimidine derivative and preparation method and application thereof 天津市肿瘤医院(天津医科大学肿瘤医院) 2026-02-27 CN disclosed
US-20260014160-A1 G1T38 SUPERIOR DOSAGE REGIMES PHARMACOSMOS HOLDING A/S (DK) 2026-01-15 US disclosed
US-20250345342-A1 METHODS FOR THE TREATMENT OF CANCER USING 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA CELCUITY INC (US) 2025-11-13 US disclosed
US-20220362254-A1 METHODS FOR REPROGRAMMING CANCER CELLS UNIV JEFFERSON (US) 2022-11-17 US disclosed
US-20220354845-A1 METHODS FOR ENHANCING DNA DAMAGE AND APOPTOSIS OF LEUKEMIC CELLS UNIV JEFFERSON (US) 2022-11-10 US disclosed
US-11446295-B2 Anti-neoplastic combinations and dosing regimens using CDK4/6 inhibitor compounds to treat Rb-positive tumors G1 THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20220267315-A1 N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS AUCENTRA THERAPEUTICS PTY LTD (AU) 2022-08-25 US disclosed
CN-114806414-A Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2022-07-29 CN disclosed
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. 2022-06-23 US disclosed
US-11357779-B2 G1T38 superior dosage regimes G1 THERAPEUTICS, INC. (US) 2022-06-14 US disclosed
US-20220175780-A1 TREATMENT OF RB-NEGATIVE TUMORS USING TOPOISOMERASE INHIBITORS IN COMBINATION WITH CYCLIN DEPENDENT KINASE 4/6 INHIBITORS PHARMACOSMOS A/S (DK) 2022-06-09 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-20260014160-A1 G1T38 SUPERIOR DOSAGE REGIMES CDK4, CCND1, CDK8 CHRNB2 4644/4885CHRNA4 4085/4885ADRB2 4407/4885
US-20260078114-A1 COMPOUND USED AS INHIBITOR OF CDK4 KINASE AND USE THEREOF CDK4, CDK1, CDK3 CHRNB2 2632/4885CHRNA4 2286/4885ADRB2 3026/4885
US-11446295-B2 Anti-neoplastic combinations and dosing regimens using CDK4/6 inhibitor compounds to treat Rb-positive tumors CDK4, RB1, BTK CHRNB2 4639/4885CHRNA4 4673/4885ADRB2 4804/4885
US-20220175780-A1 TREATMENT OF RB-NEGATIVE TUMORS USING TOPOISOMERASE INHIBITORS IN COMBINATION WITH CYCLIN DEPENDENT KINASE 4/6 INHIBITORS RB1, CDK4, CDK6 CHRNB2 4420/4885CHRNA4 4014/4885ADRB2 4740/4885
US-11357779-B2 G1T38 superior dosage regimes CXCL8, ELANE, CD4 CHRNB2 2536/4885CHRNA4 3273/4885ADRB2 3679/4885
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS CHRNB2 4879/4885CHRNA4 4869/4885ADRB2 4827/4885
US-20250345342-A1 METHODS FOR THE TREATMENT OF CANCER USING 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA CDK4, CDKN1A, CDK2 CHRNB2 4856/4885CHRNA4 4729/4885ADRB2 4448/4885
US-20220267315-A1 N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS CDK4, CDK6, CDK3 CHRNB2 3552/4885CHRNA4 3303/4885ADRB2 4718/4885

“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.