SCHEMBL19909080

SCHEMBL19909080

Cc1cnc2c(c1)CCCCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK5 Q00535 3/20 0.39
CDK5R1 Q15078 3/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
SLC9A1 P19634 1/20 0.36
GAA P10253 1/20 0.36
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL25771759 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL9652598 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL18949126 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL30666462 0.98 ADRA2A (0.51) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL2666127 0.98 ADRA2A (0.51) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL11961587 0.94 ADRA2A (0.47) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL15316127 0.85
SCHEMBL11522118 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL15127497 0.80 ADRA2A (0.37) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL15127508 0.77 OPRK1 (0.48) KDM4EALDH1A1HSD17B10

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-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 US disclosed
US-20230008362-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-01-12 US disclosed
WO-2021127047-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC (US) 2021-06-24 WO disclosed
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP 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 (2 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-20230210854-A1 MONO- AND COMBINATION THERAPIES TP53, BRCA1, MCL1 ADRA2A 2826/4885ADRA2B 2503/4885ADRA2C 3293/4885
US-20230008362-A1 COMBINATIONS WEE2, WEE1, BCL2 ADRA2A 4342/4885ADRA2B 4447/4885ADRA2C 4432/4885

“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.