SCHEMBL2818121

SCHEMBL2818121

CC1(C)OB(c2cnc(N)cc2Cl)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PDGFRB P09619 3/20 0.32
KDR P35968 3/20 0.32
EGFR P00533 3/20 0.32
LIPE Q05469 2/20 0.31
JAK2 O60674 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL16042893 0.87 NOS3 (0.33) NOS3NOS1NOS2PDGFRBKDR
SCHEMBL18225077 0.83 EGFR (0.33) EGFRLIPEJAK2BTK
SCHEMBL13016581 0.83 NOS3 (0.35) NOS3NOS1NOS2PDGFRBKDR
SCHEMBL13089602 0.81 NOS3 (0.47) NOS3NOS1NOS2PDGFRBKDR
SCHEMBL30736300 0.81 NOS3 (0.47) NOS3NOS1NOS2PDGFRBKDR
SCHEMBL2814938 0.80 LPL (0.34) NOS3NOS1NOS2PDGFRBKDR
Hydrochloric Acid SCHEMBL29960928 0.80 NOS3 (0.46) NOS3NOS1NOS2PDGFRBKDR
SCHEMBL29434913 0.80 MTOR (0.36) PDGFRBKDREGFRLIPE
SCHEMBL855843 0.80 MTOR (0.36) PDGFRBKDREGFRLIPE
SCHEMBL26608466 0.79 LIPE (0.36) PDGFRBKDREGFRLIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US disclosed
EP-4168398-A1 TYK-2 INHIBITOR BeiGene, Ltd. (KY) 2023-04-26 EP disclosed
CN-115715288-A TYK-2 inhibitors 百济神州有限公司 2023-02-24 CN disclosed
WO-2021259208-A1 TYK-2 INHIBITOR BEIGENE, LTD. (KY) 2021-12-30 WO disclosed
EP-3235816-B1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
US-10544137-B2 PI3K inhibitor, and pharmaceutically acceptable salt, polycrystalline form, and application thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (KR) 2020-01-28 US disclosed
US-20190152964-A1 PI3K INHIBITOR, AND PHARMACEUTICALLY ACCEPTABLE SALT, POLYCRYSTALLINE FORM, AND APPLICATION THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-23 US disclosed
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-03-12 US disclosed
EP-3441387-A1 PI3K INHIBITOR, AND PHARMACEUTICALLY ACCEPTABLE SALT, POLYCRYSTALLINE FORM, AND APPLICATION THEREOF Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2019-02-13 EP disclosed
US-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-12-07 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO 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-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF PIK3CA, PIK3CD, PIK3CG NOS3 2996/4885NOS1 3520/4885NOS2 3564/4885
US-10544137-B2 PI3K inhibitor, and pharmaceutically acceptable salt, polycrystalline form, and application thereof PIK3R5, PIK3CD, PIK3CA NOS3 2339/4885NOS1 2590/4885NOS2 2828/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG NOS3 2996/4885NOS1 3520/4885NOS2 3564/4885
US-20190152964-A1 PI3K INHIBITOR, AND PHARMACEUTICALLY ACCEPTABLE SALT, POLYCRYSTALLINE FORM, AND APPLICATION THEREOF PIK3R5, PIK3CD, PIK3CA NOS3 2339/4885NOS1 2590/4885NOS2 2828/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB NOS3 3168/4885NOS1 3750/4885NOS2 3913/4885
US-20240043435-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B NOS3 3843/4885NOS1 3484/4885NOS2 2450/4885

“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.