SCHEMBL12019062

SCHEMBL12019062

Cc1nccc(-c2cn(-c3cccnc3)nc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
GRM4 Q14833 2/20 0.43
DYRK1A Q13627 2/20 0.41
CYP2A6 P11509 4/20 0.40
CYP2E1 P05181 2/20 0.40
CYP3A4 P08684 1/20 0.39
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
HTT P42858 2/20 0.34
PDE10A Q9Y233 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL7249032 0.86 GRM4 (0.57) CDK2DYRK1BGRM4DYRK1AKDM4E
SCHEMBL12019060 0.84 GRM4 (0.39) CDK2DYRK1BGRM4CYP2A6CYP2E1
SCHEMBL12019068 0.79 MAP3K5 (0.39) GRM4CYP2A6CYP2E1TLR8TGFBR1
SCHEMBL12019075 0.78 GRM4 (0.47) GRM4CYP2A6CYP2E1CYP3A4TLR8
SCHEMBL12019059 0.78 MAT2A (0.41) GRM4TLR8TGFBR1
SCHEMBL12019071 0.77 GAA (0.48) GRM4CYP2A6CYP2E1CYP3A4TLR8
SCHEMBL12019070 0.77 GRM4 (0.39) GRM4CYP2A6CYP2E1CYP3A4TLR8
SCHEMBL12019076 0.76 CYP2A6 (0.43) GRM4DYRK1ACYP2A6CYP2E1CYP3A4
SCHEMBL17477104 0.76 GAA (0.50) GRM4CYP2A6CYP2E1CYP3A4TLR8
SCHEMBL12019073 0.76 CYP2A6 (0.46) GRM4CYP2A6CYP2E1CYP3A4TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220453-A1 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-30 US disclosed
US-20120220453-A1 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-30 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-20120220453-A1 PESTICIDAL COMPOSTIONS AND PROCESSES RELATED THERETO DDT, ACHE, NOTUM CDK2 3687/4885DYRK1B 3983/4885GRM4 3600/4885

“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.