SCHEMBL16655499

SCHEMBL16655499

Nc1ncnc2c1c(I)cn2C1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.55
RAB9A P51151 2/20 0.55
SRC P12931 5/20 0.52
ADK P55263 9/20 0.51
EGFR P00533 6/20 0.50
ABL1 P00519 4/20 0.50
ABL2 P42684 4/20 0.50
RIPK2 O43353 2/20 0.48
HASPIN Q8TF76 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL16655729 0.84 ADK (0.48) MTORRAB9ASRCADKEGFR
SCHEMBL16654597 0.84 SRC (0.52) MTORRAB9ASRCADKEGFR
SCHEMBL1441902 0.83 MTOR (0.57) MTORRAB9ASRCADKEGFR
SCHEMBL16237288 0.83 SRC (0.59) MTORRAB9ASRCADKEGFR
SCHEMBL30155310 0.80 ABL1 (0.64) MTORRAB9ASRCADKEGFR
SCHEMBL400626 0.80 SRC (0.61) MTORRAB9ASRCADKEGFR
SCHEMBL1940882 0.80 ABL1 (0.64) MTORRAB9ASRCADKEGFR
SCHEMBL29484468 0.80 SRC (0.61) MTORRAB9ASRCADKEGFR
SCHEMBL24650661 0.79 MTOR (0.55) MTORRAB9ASRCADKEGFR
SCHEMBL17818397 0.79 ABL1 (0.63) MTORRAB9ASRCADKEGFR

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 MTOR 27/4885RAB9A 886/4885SRC 92/4885

“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.