SCHEMBL18400899

SCHEMBL18400899

COCCN(CI)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33

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
SCHEMBL2736349 0.87 PIK3CD (0.37) PIK3CD
SCHEMBL7940771 0.84 PIK3CD (0.36) PIK3CD
SCHEMBL12205827 0.80 PIK3CD (0.33) PIK3CD
SCHEMBL18997704 0.78 PIK3CD (0.32) PIK3CD
SCHEMBL2736351 0.76 ALDH1A1 (0.33) PIK3CD
SCHEMBL12408143 0.76 PIK3CD (0.31) PIK3CD
SCHEMBL14350219 0.76 PIK3CD (0.31) PIK3CD
SCHEMBL15471309 0.73 MEN1 (0.35)
SCHEMBL19363802 0.73 PIK3CD (0.47) PIK3CD
SCHEMBL14350139 0.73 SLC6A2 (0.30)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2021-06-03 US disclosed
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-06-04 US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 US disclosed
US-10172868-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2019-01-08 US disclosed
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2018-05-10 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 US disclosed
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-02-23 US disclosed
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PIK3CD 27/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PIK3CD 27/4885
US-10172868-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 PIK3CD 237/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PIK3CD 27/4885
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 PIK3CD 237/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PIK3CD 27/4885
US-20210163423-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PIK3CD 27/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PIK3CD 27/4885
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 PIK3CD 73/4885
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PIK3CD 27/4885

“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.