SCHEMBL16639154

SCHEMBL16639154

Nc1cc(C(F)(F)F)c(-c2nc(Cl)nc3c(Br)csc23)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.36
MTOR P42345 13/20 0.36
PIK3CD O00329 3/20 0.36
PIK3C2B O00750 2/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PRKDC P78527 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
AKR1C3 P42330 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
EPHB4 P54760 1/20 0.31

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
SCHEMBL17053424 0.83 NOS3 (0.36) PIK3CAMTORPIK3R1EPHB4
SCHEMBL16639145 0.78 MTOR (0.61) PIK3CAMTORPIK3CDPIK3C2BPIK3R1
SCHEMBL16639073 0.75 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3R1EPHB4
SCHEMBL16639096 0.73 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3R1EPHB4
SCHEMBL16639095 0.71 PIK3CA (0.37) PIK3CAPIK3CDEPHB4
SCHEMBL17946922 0.66 AURKA (0.45) PIK3CAPIK3CD
SCHEMBL1682836 0.66 HTT (0.36) EPHB4
SCHEMBL16639077 0.66 PRKCI (0.32) PIK3CAPIK3CDPIK3R1
SCHEMBL857498 0.65 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3C2BPIK3R1
SCHEMBL29528816 0.65 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3C2BPIK3R1

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-9499561-B2 Fused pyrimidine compound, and preparation method, intermediate, composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-11-22 US disclosed
US-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF SHANGHAI YUNYI HEALTHCARE AND TECHNOLOGY CO., LTD. (CN) 2015-09-03 US disclosed
EP-2860181-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF Shanghai Yingli Science and Technology Co., Ltd (CN) 2015-04-15 EP 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-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885MTOR 51/4885PIK3CD 2/4885

“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.