SCHEMBL18949083

SCHEMBL18949083

CC(C)(C)c1cnc2c(c1)CCCCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
GAA P10253 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
DHODH Q02127 2/20 0.31
SLC9A1 P19634 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL18949157 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL18949217 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL18949167 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL10100731 0.98 ADRA2A (0.44) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL12903040 0.94 ADRA2A (0.40) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL19682255 0.83 ADRA2A (0.39) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL18949084 0.83 ADRA2A (0.39) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL18949087 0.83 ADRA2A (0.39) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL12398688 0.82 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL22353570 0.80 ADRA2A (0.37) ADRA2AADRA2BADRA2CCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 US disclosed
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 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 (3 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-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ADRA2A 3284/4885ADRA2B 2351/4885ADRA2C 2909/4885
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA ADRA2A 3601/4885ADRA2B 3360/4885ADRA2C 3339/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA ADRA2A 3601/4885ADRA2B 3360/4885ADRA2C 3339/4885

“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.