SCHEMBL3729778

SCHEMBL3729778

Cc1nc(N)nc2c1cc(Br)c(=O)n2[C@@H]1CCCOC1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.88
MTOR P42345 3/20 0.54

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
SCHEMBL3724277 1.00 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL3724273 1.00 PIK3CA (0.88) PIK3CAMTOR
Bromide SCHEMBL3722679 0.99 PIK3CA (0.86) PIK3CAMTOR
SCHEMBL3328794 0.93 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL7919884 0.93 PIK3CA (1.00) PIK3CAMTOR
Bromide SCHEMBL3727618 0.92 PIK3CA (0.98) PIK3CAMTOR
Bromide SCHEMBL392497 0.92 PIK3CA (0.98) PIK3CAMTOR
Bromide SCHEMBL392496 0.92 PIK3CA (0.98) PIK3CAMTOR
SCHEMBL1993484 0.87 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL1899656 0.87 PIK3CA (0.82) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130343988-A1 Pyrido [2, 3-D] pyrimidin-7-one compounds as inhibitors of P13K-Alpha for the treament of cancer EXELIXIS, INC. (US) 2013-12-26 US disclosed
US-20100209340-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. 2010-08-19 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 (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-20130343988-A1 Pyrido [2, 3-D] pyrimidin-7-one compounds as inhibitors of P13K-Alpha for the treament of cancer CDKN1A, MAP3K3, CCNK PIK3CA 58/4885MTOR 571/4885
US-20100209340-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER CDKN1A, CCNK, MAP3K3 PIK3CA 51/4885MTOR 612/4885

“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.