SCHEMBL16655528

SCHEMBL16655528

Nc1ncnn2c(C3Cc4ccccc4C3)cc(I)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.41
▸ ACVRL1 P37023 5/20 0.40
▸ TNK2 Q07912 5/20 0.36
▸ MTOR P42345 1/20 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
▸ IGF1R P08069 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL22132915 0.75 ACVRL1 (0.58) PIK3CDACVRL1MTORRICTORRPTOR
SCHEMBL16655489 0.75 MAP4K4 (0.41) PIK3CDACVRL1TNK2PIK3CAPIK3CB
SCHEMBL16655468 0.73 ACVRL1 (0.53) PIK3CDACVRL1
SCHEMBL29388440 0.71 ACVRL1 (0.39) PIK3CDACVRL1AXLMERTK
SCHEMBL22695926 0.69 ACVRL1 (0.37) PIK3CDACVRL1MTORRICTORRPTOR
SCHEMBL22132863 0.68 RIPK1 (0.48) PIK3CDTNK2AXLMERTK
SCHEMBL22132905 0.68 RIPK1 (0.48) PIK3CDTNK2AXLMERTK
SCHEMBL22132930 0.68 RIPK1 (0.48) PIK3CDTNK2AXLMERTK
SCHEMBL22132768 0.68 EGFR (0.45) PIK3CDACVRL1
SCHEMBL22132857 0.68 RIPK1 (0.46) TNK2

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 — — US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 — — 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885ACVRL1 4469/4885TNK2 70/4885

“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.

Send feedback