SCHEMBL9950831

SCHEMBL9950831

OC1CCC(n2cc(I)c3c(Cl)ncnc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 16/20 0.55
SLC29A1 Q99808 1/20 0.53
SRC P12931 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CDK1 P06493 1/20 0.44
RET P07949 1/20 0.44
ROS1 P08922 1/20 0.44
FER P16591 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 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
SCHEMBL9950833 1.00 ADK (0.55) ADKSLC29A1SRCCDC7PLK4
SCHEMBL16236390 0.93 ADK (0.54) ADKSLC29A1SRCMAP4K4LCK
SCHEMBL29484542 0.93 ADK (0.54) ADKSLC29A1SRCMAP4K4LCK
SCHEMBL18044589 0.92 ADK (0.53) ADKSLC29A1SRCCDC7PLK4
SCHEMBL18044688 0.87 ADK (0.56) ADKSLC29A1MTORRAB9AABL1
SCHEMBL401328 0.87 ADK (0.52) ADKSLC29A1SRCMAP4K4LCK
SCHEMBL1939761 0.87 ADK (0.52) ADKSLC29A1SRCJAK2MAP4K4
SCHEMBL22086530 0.86 ADK (0.51) ADKSLC29A1SRCJAK2MAP4K4
SCHEMBL16236685 0.86 ADK (0.51) ADKSLC29A1SRCJAK2MAP4K4
SCHEMBL30373169 0.86 ADK (0.51) ADKSLC29A1SRCJAK2MAP4K4

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
CN-113683629-B Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2023-07-04 CN disclosed
CN-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 CN disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 ADK 3449/4885SLC29A1 1922/4885SRC 292/4885

“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.