SCHEMBL3753070

SCHEMBL3753070

O=C(c1ccc(Cl)cc1Br)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.78
GPR142 Q7Z601 1/20 0.43
PRKDC P78527 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL3752591 0.91 PIK3CA (0.80) PIK3CAGPR142PRKDC
SCHEMBL3757862 0.90 PIK3CA (0.72) PIK3CAGPR142PRKDCLMNASMN1; SMN2
SCHEMBL3752201 0.90 PIK3CA (0.80) PIK3CAPRKDCCREBBP
Hydrochloric Acid SCHEMBL3765849 0.89 PIK3CA (0.71) PIK3CAGPR142PRKDCLMNASMN1; SMN2
SCHEMBL3756510 0.87 PIK3CA (1.00) PIK3CAPRKDCCREBBPKDM4E
SCHEMBL3757877 0.85 PIK3CA (0.64) PIK3CAGPR142PRKDCCREBBP
SCHEMBL3749683 0.84 PIK3CA (0.72) PIK3CAPRKDCCREBBPKDM4E
SCHEMBL3755539 0.83 PIK3CA (0.80) PIK3CAPRKDCCREBBP
SCHEMBL3749636 0.82 PIK3CA (0.70) PIK3CAPRKDCCREBBP
SCHEMBL3756614 0.82 PIK3CA (1.00) PIK3CAGPR142PRKDCCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PIK3CA 16/4885GPR142 4122/4885PRKDC 480/4885

“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.