SCHEMBL4050239

SCHEMBL4050239

Cc1cnc2[nH]c(C(C)(C)C)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
ABL1 P00519 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 1/20 0.30
CDK7 P50613 1/20 0.30
CDK5 Q00535 1/20 0.30
PRKAA1 Q13131 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL21652728 0.81 BRD4 (0.33) BRD4
SCHEMBL26262641 0.81 RET (0.42) BRD4NOS1RETKDR
SCHEMBL7921126 0.80 BRD4 (0.50) CCR1CCR5CCR8CYP1A2BRD4
SCHEMBL25111604 0.80 SNCA (0.43) BRD4
SCHEMBL4251921 0.80 RET (0.34) BRD4RETKDR
SCHEMBL12019625 0.80 GCK (0.41) BRD4KDM4EABL1RETKDR
SCHEMBL26265794 0.77 KCNH2 (0.35) KDM4E
SCHEMBL29297534 0.77 HDAC6 (0.36) BRD4
SCHEMBL15829464 0.76 HPGDS (0.38) KDM4ERET
SCHEMBL20618792 0.74 IKBKB (0.31)

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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
WO-2009112473-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112473-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-09-17 WO 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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CCR1 588/4885CCR5 544/4885CCR8 362/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF CCR1 3087/4885CCR5 583/4885CCR8 919/4885

“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.