SCHEMBL18079028

SCHEMBL18079028

Cn1c(-c2ccccc2)c(CNc2ncnc(N)c2C#N)c(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.46
▸ PIK3CD O00329 13/20 0.42
▸ PIK3R1 P27986 6/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PIK3CG P48736 3/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HK1 P19367 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ LIMK1 P53667 1/20 0.39

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
SCHEMBL29432616 0.81 TEK (0.43) LRRK2PIK3CDPIK3R1CYP2C19HSD17B10
SCHEMBL18079032 0.80 PIK3CD (0.53) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL18079042 0.77 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL18079008 0.77 DDR2 (0.44) PIK3CDHSD17B10PIK3CGCYP11B2LIMK1
SCHEMBL18079002 0.73 PIK3CD (0.44) LRRK2PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL18079025 0.73 PIK3CD (0.55) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL18079001 0.72 PIK3CD (0.60) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL17331681 0.70 PIK3CD (0.44) LRRK2PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL17331501 0.70 PIK3CD (0.44) LRRK2PIK3CDPIK3R1PIK3CGPIK3CB
SCHEMBL18079041 0.70 HSD17B10 (0.61) CYP2C19HSD17B10SMN1; SMN2ALDH1A1HK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3266774-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS PHOSPHATIDYLINOSITOL 3-KINASE DELTA INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-09-04 — — EP disclosed
US-20180037576-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS PHOSPHATIDYLINOSITOL 3-KINASE DELTA INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2018-02-08 — — US disclosed
WO-2016141855-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS PHOSPHATIDYLINOSITOL 3-KINASE Δ INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2016-09-15 — — 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 (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-20180037576-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AS PHOSPHATIDYLINOSITOL 3-KINASE DELTA INHIBITOR AND USE THEREOF PIK3CA, PIK3CD, PIK3CB LRRK2 1678/4885PIK3CD 2/4885PIK3R1 11/4885

“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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