SCHEMBL17946331

SCHEMBL17946331

COc1ncc(-c2nc(N3CCOCC3)nc3ccoc23)cc1NS(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
PIK3CA P42336 1/20 0.59
TNF P01375 5/20 0.58

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
SCHEMBL17994112 0.82 PIK3CD (0.70) PIK3CDPIK3CATNF
SCHEMBL17951265 0.82 PIK3CD (1.00) PIK3CD
SCHEMBL17946335 0.81 PIK3CD (0.68) PIK3CDPIK3CA
SCHEMBL18032471 0.80 TNF (0.70) PIK3CDTNF
SCHEMBL22026133 0.79 TNF (0.81) PIK3CDTNF
SCHEMBL17946328 0.78 PIK3CD (1.00) PIK3CD
SCHEMBL17946312 0.77 PIK3CD (0.79) PIK3CD
SCHEMBL24043067 0.76 TNF (0.72) PIK3CDTNF
SCHEMBL18032537 0.76 TNF (0.72) PIK3CDTNF
SCHEMBL18032487 0.76 TNF (0.72) PIK3CDTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053926-B1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2018-08-08 EP disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 US disclosed
US-9745321-B2 Fused pyrimidine compound, intermediate, preparation method therefor, and composition and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2017-08-29 US disclosed
EP-3053926-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2016-08-10 EP disclosed
US-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2016-07-28 US disclosed
US-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2016-07-28 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 (1 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-20160214994-A1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF PIK3CA, WEE1, TKFC PIK3CD 4/4885PIK3CA 1/4885TNF 56/4885

“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.