SCHEMBL16655489

SCHEMBL16655489

Nc1ncnn2c(C3Cc4ccccc4C3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.41
▸ DOT1L Q8TEK3 2/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ TNK2 Q07912 4/20 0.34
▸ ADRA1A P35348 1/20 0.33
▸ POLRMT O00411 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ TNIK Q9UKE5 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
SCHEMBL31391115 0.83 MAP4K4 (0.43) MAP4K4DOT1LPIK3CDTNK2POLRMT
SCHEMBL27315074 0.80 MAP4K4 (0.41) MAP4K4PIK3CDTNK2ACVRL1
SCHEMBL19377633 0.78 AXL (0.39) MAP4K4DOT1LPIK3CDACVRL1
SCHEMBL19429619 0.77 CSNK2A2 (0.38) MAP4K4DOT1LTNK2POLRMTACVRL1
SCHEMBL16011257 0.77 ACVRL1 (0.46) MAP4K4DOT1LPOLRMTDYRK1AACVRL1
SCHEMBL22627061 0.77 ACVRL1 (0.51) MAP4K4PIK3CDACVRL1
SCHEMBL19377694 0.77 PIK3CD (0.42) MAP4K4PIK3CD
SCHEMBL16011256 0.77 ACVRL1 (0.46) MAP4K4DOT1LPOLRMTDYRK1AACVRL1
SCHEMBL14488031 0.75 MAP4K4 (0.37) MAP4K4DOT1LPIK3CDTNK2POLRMT
SCHEMBL20960065 0.75 MAP4K4 (0.37) MAP4K4DOT1LPIK3CDPIK3CAPIK3CB

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 MAP4K4 693/4885DOT1L 2111/4885PIK3CD 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.

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