SCHEMBL10260251

SCHEMBL10260251

Cc1nn(C)c2ncnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 11/20 0.52
▸ PIK3CA P42336 11/20 0.52
▸ PIK3CB P42338 11/20 0.52
▸ PIK3CG P48736 11/20 0.52
▸ PRKDC P78527 11/20 0.52
▸ ABL1 P00519 8/20 0.52
▸ EGFR P00533 8/20 0.52
▸ HCK P08631 8/20 0.52
▸ SRC P12931 8/20 0.52
▸ MTOR P42345 8/20 0.52
▸ EPHB4 P54760 8/20 0.52
▸ KDR P35968 7/20 0.52
▸ PI4KB Q9UBF8 3/20 0.52
▸ NUDT14 O95848 1/20 0.49
▸ NUDT5 Q9UKK9 1/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ LRRK2 Q5S007 2/20 0.49
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47

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
SCHEMBL12647324 0.83 NOTUM (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29503435 0.81 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29503436 0.81 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130592 0.81 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL869057 0.81 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23057484 0.80 EGFR (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23057505 0.78 EGFR (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1923871 0.78 NOTUM (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23580425 0.78 NOTUM (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31337205 0.78 NOTUM (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 — — US disclosed
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 — — US disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 — — EP disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 — — US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 — — US disclosed
US-20230126711-A1 ENTERIC NITRERGIC NEURONS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-27 — — US disclosed
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 — — WO disclosed
EP-3858833-A1 AMINONORDECANE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-08-04 — — EP disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — WO disclosed
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 — — US disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 — — US disclosed
US-20130261101-A1 BICYCLIC AZAHETEROCYCLOBENZYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2013-10-03 — — US disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 — — WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 — — EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 — — US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 — — US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 — — US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — 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 (10 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PIK3CD 86/4885PIK3CA 26/4885PIK3CB 39/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PIK3CA 459/4885PIK3CB 935/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R PIK3CD 725/4885PIK3CA 459/4885PIK3CB 935/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CD 5/4885PIK3CA 1/4885PIK3CB 2/4885
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 PIK3CD 86/4885PIK3CA 26/4885PIK3CB 39/4885
US-20130261101-A1 BICYCLIC AZAHETEROCYCLOBENZYLAMINES AS PI3K INHIBITORS PIK3CD, PIK3CA, PIK3CB PIK3CD 1/4885PIK3CA 2/4885PIK3CB 3/4885
US-20230126711-A1 ENTERIC NITRERGIC NEURONS AND METHODS OF USING THE SAME PROX1, MYH2, NOS2 PIK3CD 3440/4885PIK3CA 3675/4885PIK3CB 2807/4885
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 PIK3CD 49/4885PIK3CA 9/4885PIK3CB 79/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 PIK3CD 149/4885PIK3CA 45/4885PIK3CB 167/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 PIK3CD 264/4885PIK3CA 139/4885PIK3CB 155/4885

“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.

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