Sugi Predict

Sugi Predict / Compounds / SCHEMBL3317508

SCHEMBL3317508

SCHEMBL3317508

Clc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.54
▸ CCNK O75909 2/20 0.54
▸ CDK12 Q9NYV4 2/20 0.54
▸ CDK7 P50613 2/20 0.54
▸ CDK9 P50750 2/20 0.54
▸ CCNT1 O60563 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ MNAT1 P51948 1/20 0.54
▸ DYRK1A Q13627 2/20 0.49
▸ IGF1R P08069 15/20 0.48
▸ KCNH2 Q12809 10/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ EGFR P00533 1/20 0.44
▸ CDK1 P06493 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CDK8 P49336 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
SCHEMBL3311664 0.86 DYRK1A (0.50) CDK2CCNKCDK12CDK7CDK9
SCHEMBL22911935 0.86 CDK2 (0.52) CDK2CCNKCDK12CDK7CDK9
SCHEMBL22360726 0.86 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL3313922 0.86 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL3311283 0.86 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL17553656 0.82 EGFR (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL17373097 0.82 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL3311570 0.82 CDK2 (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL20416048 0.82 CDK2 (0.60) CDK2CCNKCDK12CDK7CDK9
SCHEMBL30110310 0.79 CDK2 (0.46) CDK2CCNKCDK12CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 — — US disclosed
WO-2024148210-A1 CYCLIN-DEPENDENT KINASE 12 MODULATORS AND THERAPEUTIC USES THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-11 — — WO disclosed
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 — — US disclosed
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 — — CN disclosed
CN-113166110-B 2-aminopyrimidine compound and application thereof 暨南大学 2023-08-11 — — CN disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 — — EP disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 — — US disclosed
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 — — US disclosed
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 — — US disclosed
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 — — EP disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO disclosed
US-8946235-B2 2-(2,4,5-substituted-anilino) pyrimidine compounds ASTRAZENECA AB (SE) 2015-02-03 — — US disclosed
EP-2736895-A1 2 - (2, 4, 5 - SUBSTITUTED -ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2014-06-04 — — EP disclosed
US-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2013-02-28 — — US disclosed
WO-2013014448-A1 2 - (2, 4, 5 - SUBSTITUTED -ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2013-01-31 — — WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 — — WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 — — WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — 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 (6 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-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 CDK2 589/4885CCNK 2637/4885CDK12 2722/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 CDK2 589/4885CCNK 2637/4885CDK12 2722/4885
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 CDK2 1/4885CCNK 2/4885CDK12 23/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 CDK2 589/4885CCNK 2637/4885CDK12 2722/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS CDK2 64/4885CCNK 504/4885CDK12 269/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 CDK2 589/4885CCNK 2637/4885CDK12 2722/4885

“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.