SCHEMBL24926786

SCHEMBL24926786

CC(C)c1nccnc1-c1ccc(Cl)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.33
GRIA2 P42262 1/20 0.33
GRM5 P41594 1/20 0.33
GABRA5 P31644 2/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CNR2 P34972 1/20 0.32
RET P07949 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PTK2 Q05397 1/20 0.31
MAPK14 Q16539 1/20 0.31
CASP3 P42574 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22498513 0.87 ADRB2 (0.36) TGFBR1GRIA2GRM5GABRA5CNR2
SCHEMBL29659908 0.87 ADRB2 (0.36) TGFBR1GRIA2GRM5GABRA5CNR2
SCHEMBL29776089 0.87 GABRA5 (0.33) TGFBR1GRIA2GRM5GABRA5PTK2
SCHEMBL23212666 0.87 GABRA5 (0.33) TGFBR1GRIA2GRM5GABRA5PTK2
SCHEMBL29776219 0.87 ADRB2 (0.36) TGFBR1GRIA2GRM5GABRA5CNR2
SCHEMBL23329668 0.79 GBA1 (0.33) MAPK1L3MBTL1
SCHEMBL23329670 0.79 TGFBR1 (0.36) TGFBR1GRIA2GRM5MAPK14
SCHEMBL24926671 0.77 NPC1 (0.36) GRM5CCNB2CDK1CCNB1GSK3A
SCHEMBL15723976 0.77 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL29776123 0.76 HRH1 (0.33) TGFBR1GRIA2GRM5CNR2RET

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-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 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-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES DDT, PRXL2A, CAT TGFBR1 1458/4885GRIA2 411/4885GRM5 239/4885

“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.