SCHEMBL3756745

SCHEMBL3756745

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)c3cc5sccc5n3CC#N)CCO4)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 1/20 0.39
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7866193 0.91 PIK3CA (0.58) PIK3CAMAPTHPGDALOX15TSHR
SCHEMBL3756896 0.86 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3757916 0.85 PIK3CA (0.51) PIK3CAMAPTHPGDALOX15TSHR
SCHEMBL3756807 0.83 PIK3CA (0.55) PIK3CAMAPTHPGDTSHRCREBBP
SCHEMBL3748162 0.81 PIK3CA (0.59) PIK3CAMAPTHPGDALOX15TSHR
SCHEMBL3754177 0.80 PIK3CA (0.58) PIK3CACREBBP
SCHEMBL3755486 0.80 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3759986 0.79 PIK3CA (0.62) PIK3CACREBBP
SCHEMBL3756343 0.78 PIK3CA (0.61) PIK3CACREBBP
SCHEMBL3754683 0.78 PIK3CA (0.70) 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
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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 (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 16/4885MAPT 1172/4885HPGD 1748/4885

“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.