SCHEMBL10288196

SCHEMBL10288196

N#Cc1c(N2CCOCC2)sc(-c2nnn[nH]2)c1C(F)(F)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.41
PIK3R1 P27986 12/20 0.41
MTOR P42345 6/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 4/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10298533 0.86 KDM4E (0.32) PIK3CAPIK3R1KDM4EALDH1A1MAPT
SCHEMBL627366 0.79 PIK3CA (0.40) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL10288559 0.78 KDM4E (0.39) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL10308589 0.77 PIK3CA (0.49) PIK3CAPIK3R1NPC1RAB9ARXFP1
SCHEMBL10288609 0.76 PIK3CA (0.50) PIK3CAPIK3R1NPC1RAB9ARXFP1
SCHEMBL6749633 0.72 PIK3CA (0.44) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1552162 0.70 PIK3CA (0.74) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL10288142 0.69 PDE10A (0.36) PIK3CAPIK3CDPIK3CBPIK3CGRXFP1
SCHEMBL6752269 0.69 PIK3CA (0.61) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL10298513 0.67 PDE10A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (4 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3R1 1/4885MTOR 86/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3R1 1/4885MTOR 86/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3R1 1/4885MTOR 82/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885PIK3R1 1/4885MTOR 82/4885

“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.