SCHEMBL764036

SCHEMBL764036

Cn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.59
CCNB1 P14635 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
HSP90AB1 P08238 14/20 0.49
HSP90AA1 P07900 13/20 0.49
YTHDC1 Q96MU7 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
HSP90B1 P14625 1/20 0.44
TRAP1 Q12931 1/20 0.44

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
SCHEMBL129642 0.81 CDK1 (0.68) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL183035 0.81 CDK1 (0.68) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL29426225 0.81 CDK1 (0.68) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL7289687 0.79 CDK1 (0.51) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL10148680 0.79 CDK1 (0.57) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL17040218 0.79 HSP90AB1 (0.47) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL8080153 0.79 HSP90AB1 (0.47) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL24474430 0.78 HSP90AB1 (0.46) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL380974 0.78 CDK1 (0.50) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4378141 0.78 CDK1 (0.50) CDK1CCNB1CCNE1CDK2YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 EP disclosed
CN-117777136-B 1, 3-Disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2025-04-29 CN disclosed
CN-117777136-A 1, 3-disubstituted tetrahydropyrrole derivative and preparation method and application thereof 沈阳药科大学 2024-03-29 CN disclosed
CN-117720538-A 1, 3-disubstituted piperidine derivative and preparation method and application thereof 沈阳药科大学 2024-03-19 CN disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-116323585-A New compounds 詹森药业有限公司 2023-06-23 CN disclosed
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 US disclosed
CN-1353713-A Purine inhibitors of cyclin dependent kinase 2 and IK B-alpha CV THERAPEUTICS INC (US) 2002-06-12 CN disclosed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US disclosed
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CV THERAPEUTICS, INC. 2002-03-14 US disclosed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 EP disclosed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO disclosed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 WO disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 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 (5 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B CDK1 311/4885CCNB1 903/4885CCNE1 901/4885
US-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 CDK1 1410/4885CCNB1 2251/4885CCNE1 1730/4885
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ADORA2A, ADORA1, ADORA3 CDK1 725/4885CCNB1 2165/4885CCNE1 2359/4885
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CDKN1A, CCNK, CDK1 CDK1 3/4885CCNB1 43/4885CCNE1 82/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB CDK1 4/4885CCNB1 18/4885CCNE1 96/4885

“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.