SCHEMBL3757916

SCHEMBL3757916

CCn1c(C(=O)N2CCOc3ccc(-c4ccc5[nH]c(C)nc5c4)cc3C2)cc2sccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.51
TSHR P16473 5/20 0.50
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CREBBP Q92793 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3756807 0.90 PIK3CA (0.55) PIK3CATSHRMAPTHPGDMEN1
SCHEMBL7866193 0.87 PIK3CA (0.58) PIK3CATSHRMAPTNPSR1HPGD
SCHEMBL3753231 0.87 PIK3CA (0.53) PIK3CACREBBP
SCHEMBL3758385 0.85 PIK3CA (0.52) PIK3CACREBBP
SCHEMBL3756745 0.85 PIK3CA (0.56) PIK3CATSHRMAPTNPSR1HPGD
SCHEMBL3748162 0.83 PIK3CA (0.59) PIK3CATSHRMAPTNPSR1HPGD
SCHEMBL3756896 0.82 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3755486 0.82 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3747619 0.82 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3756945 0.81 PIK3CA (0.57) PIK3CACREBBP

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 3 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
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 16/4885TSHR 4423/4885MAPT 1172/4885

“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.