SCHEMBL4445513

SCHEMBL4445513

CN1CCN(C(=O)c2cccc(-c3cc4c(N5CCOCC5)nc(Cl)nc4s3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.58
MTOR P42345 6/20 0.58
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPK1 P28482 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
CNR2 P34972 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
PIK3CB P42338 1/20 0.47
USP2 O75604 1/20 0.46
P2RY12 Q9H244 3/20 0.43
HASPIN Q8TF76 1/20 0.43

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
SCHEMBL4439748 0.87 KDM4E (0.61) PIK3CAALDH1A1KDM4EMAPK1HPGD
SCHEMBL4446815 0.85 PIK3CA (0.78) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL1860301 0.82 PIK3CA (0.60) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL12995183 0.81 PIK3CA (0.59) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL14034101 0.81 ALDH1A1 (0.74) PIK3CAALDH1A1KDM4EMAPK1HPGD
SCHEMBL1861923 0.79 PIK3CA (0.75) PIK3CAMTORKDM4EHPGDMEN1
SCHEMBL4433857 0.79 PRKDC (0.57) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL1861416 0.79 PIK3CA (0.64) PIK3CAMTORHPGDTSHRMEN1
SCHEMBL4433844 0.78 PIK3CA (0.70) PIK3CAMTORALDH1A1KDM4EMAPK1
SCHEMBL4886765 0.78 P2RY12 (0.65) MEN1GPR55P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885MTOR 11/4885ALDH1A1 4026/4885

“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.