SCHEMBL21115650

SCHEMBL21115650

Cc1ccc(Nc2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
PDE10A Q9Y233 4/20 0.45
CCNK O75909 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
GRM5 P41594 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1G2 P78368 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DEGS1 O15121 1/20 0.41
KDR P35968 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18932624 0.87 DEGS1 (0.44) CCNKCCND3CDK9CDK6RAB9A
SCHEMBL11563207 0.85 HAO1 (0.53) PDE10ARAB9AMAPTADRA2AADRA2B
SCHEMBL28402115 0.81 MEN1 (0.48) CCNKCCND3CDK9CDK6RAB9A
SCHEMBL28410844 0.81 CCNK (0.46) PDE10ACCNKCCND3CDK9CDK6
SCHEMBL19489172 0.79 MAPT (0.43) CCNKCCND3CDK9CDK6RAB9A
SCHEMBL24308132 0.79 RAB9A (0.62) PDE10ARAB9AMAPTADRA2AADRA2B
SCHEMBL2485845 0.79 RAB9A (0.50) PDE10ARAB9AMAPTADRA2AADRA2B
SCHEMBL11562966 0.79 GRM5 (0.51) TSHRPDE10ARAB9AMAPTGRM5
SCHEMBL83157 0.78 HCAR3 (0.56) PDE10ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL12590968 0.78 MEN1 (0.42) CCNKCCND3CDK9CDK6RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-06-27 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-20190198769-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ODC1, ETV6 TSHR 4430/4885PDE10A 3508/4885CCNK 1379/4885

“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.