SCHEMBL2380415

SCHEMBL2380415

CC(=O)N1CCc2c(Cl)nc(N3CCOCC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.43
PIK3R1 P27986 17/20 0.43
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
PIK3CD O00329 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3C2B O00750 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL19623754 0.86 PIK3CA (0.40) PIK3CAPIK3R1KDM4EHTTPIK3CD
SCHEMBL25254220 0.80 PIK3CA (0.49) PIK3CAPIK3R1KDM4EHTTMTOR
SCHEMBL2379826 0.78 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBPIK3C2B
SCHEMBL2824022 0.78 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDPIK3CBPIK3C2B
SCHEMBL2376603 0.78 PIK3CA (0.71) PIK3CAPIK3R1PIK3CDPIK3CBPIK3C2B
SCHEMBL19623752 0.76 PIK3CA (0.50) PIK3CAPIK3R1KDM4EHTTPIK3CD
SCHEMBL2377693 0.75 PIK3CA (0.67) PIK3CAPIK3R1MTOR
SCHEMBL25622677 0.73 PIK3R1 (0.43) PIK3CAPIK3R1KDM4EPIK3CDPIK3CB
SCHEMBL30677494 0.72 PIK3CA (0.41) PIK3CAPIK3R1KDM4EHTTPIK3CD
SCHEMBL25221709 0.72 HTT (0.49) PIK3CAPIK3R1KDM4EHTTMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
EP-2239261-A1 PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF Chugai Seiyaku Kabushiki Kaisha (JP) 2010-10-13 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
WO-2009099163-A1 PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-08-13 WO disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (2 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 PIK3CA 1/4885PIK3R1 5/4885NOTUM 3201/4885
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CSNK1A1, CSK, CSNK1A1L PIK3CA 44/4885PIK3R1 69/4885NOTUM 3864/4885

“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.