SCHEMBL786455

SCHEMBL786455

Clc1nc(Cl)c2ncn(C3CCCC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.49
ADORA3 P0DMS8 6/20 0.49
ADORA1 P30542 6/20 0.49
PI4KA P42356 3/20 0.49
PI4K2B Q8TCG2 3/20 0.49
PI4K2A Q9BTU6 3/20 0.49
PI4KB Q9UBF8 3/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
YTHDC1 Q96MU7 1/20 0.46
ADORA2B P29275 2/20 0.45
CTSL P07711 3/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
CTSS P25774 1/20 0.44
CTSB P07858 1/20 0.44
FLT3 P36888 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL30332114 1.00 ADORA2A (0.49) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL786016 0.98 ADORA2A (0.50) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL30584024 0.98 ADORA2A (0.50) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL16714635 0.97 ADORA2A (0.49) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL786767 0.93 LMNA (0.50) ADORA2AADORA3ADORA1LMNATP53
SCHEMBL30332447 0.93 LMNA (0.50) ADORA2AADORA3ADORA1LMNATP53
Diaminooctane SCHEMBL6920367 0.89 FLT3 (0.46) ADORA2AADORA3ADORA1PI4KAPI4K2B
SCHEMBL30677364 0.86 LMNA (0.48) ADORA2AADORA3ADORA1LMNATP53
SCHEMBL11961123 0.86 LMNA (0.48) ADORA2AADORA3ADORA1LMNATP53
SCHEMBL30677298 0.85 LMNA (0.44) ADORA2AADORA3ADORA1LMNATP53

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
US-20250346601-A1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS UNIV PALACKEHO (CZ) 2025-11-13 US disclosed
EP-4532498-B1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS UNIV PALACKEHO (CZ) 2025-10-29 EP disclosed
EP-4532498-A1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS Univerzita Palackého v Olomouci (CZ) 2025-04-09 EP disclosed
US-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR TAIZHOU EOC PHARMA CO., LTD (CN) 2024-10-24 US disclosed
WO-2024125532-A1 NOVEL HETEROCYCLIC COMPOUND ACTING AS CDKS INHIBITOR, AND USE THEREOF 杭州德睿智药科技有限公司 2024-06-20 WO disclosed
WO-2023016477-A9 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-04-25 WO disclosed
CN-117916235-A Cyclin dependent kinase inhibitors 泰州亿腾景昂药业股份有限公司 2024-04-19 CN disclosed
WO-2023232171-A1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-12-07 WO disclosed
WO-2023016477-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-02-16 WO disclosed
CN-110903289-B Purine-aminomethyl-pyridone derivative, preparation method and application thereof 四川大学 2023-02-03 CN disclosed
US-6413974-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE AVENTIS PHARMACEUTICALS INC. 2002-07-02 US disclosed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
EP-1056745-A2 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 WO disclosed
US-6132957-A CONTACTING A 9-SUBSTITUTED ADENINE WITH A CELL EXTRACT CONTAINING ADENYLATE CYCLASE ACTIVITY, DETECTING THE AMOUNT OF INHIBITION, AND CORRELATING WITH TEST STANDARD OR CONTROL; NOVEL THERAPIES FOR CARDIOVASCULAR DISORDERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2000-10-17 US disclosed
WO-1999043676-A2 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
US-5795756-A Method and compounds for the inhibition of adenylyl cyclase THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 1998-08-18 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 (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-20250346601-A1 HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND THERAPY OF CIRCADIAN RHYTHM DISORDERS CRY1, PER2, CRY2 ADORA2A 459/4885ADORA3 690/4885ADORA1 529/4885
US-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR CDK2, CCNK, CDK1 ADORA2A 3920/4885ADORA3 4638/4885ADORA1 4735/4885

“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.