SCHEMBL16655729

SCHEMBL16655729

Clc1ncnc2c1c(I)cn2C1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.48
SLC29A1 Q99808 1/20 0.46
PIK3CD O00329 4/20 0.39
BTK Q06187 4/20 0.39
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
SRC P12931 4/20 0.38
ABL1 P00519 3/20 0.36
EGFR P00533 3/20 0.36
ABL2 P42684 3/20 0.36
RIPK2 O43353 1/20 0.35
ATR Q13535 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
SCHEMBL16655499 0.84 MTOR (0.55) ADKBTKMTORRAB9ASRC
SCHEMBL29484542 0.83 ADK (0.54) ADKSLC29A1MTORRAB9ASRC
SCHEMBL16236390 0.83 ADK (0.54) ADKSLC29A1MTORRAB9ASRC
SCHEMBL18044604 0.80 ADK (0.52) ADKSLC29A1MTORRAB9A
SCHEMBL1939761 0.80 ADK (0.52) ADKSLC29A1BTKMTORRAB9A
SCHEMBL401328 0.80 ADK (0.52) ADKSLC29A1MTORRAB9ASRC
SCHEMBL16236685 0.79 ADK (0.51) ADKSLC29A1BTKMTORRAB9A
SCHEMBL20351758 0.79 ADK (0.54) ADKSLC29A1MTORRAB9A
SCHEMBL22086530 0.79 ADK (0.51) ADKSLC29A1BTKMTORRAB9A
SCHEMBL30373169 0.79 ADK (0.51) ADKSLC29A1BTKMTORRAB9A

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 ADK 983/4885SLC29A1 3030/4885PIK3CD 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.