SCHEMBL12424323

SCHEMBL12424323

CCC1CCN(Cc2cncnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.43
CCR3 P51677 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
CHRM4 P08173 2/20 0.39
ACHE P22303 2/20 0.39
KAT2B Q92831 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL15014582 0.82 ACHE (0.58) JAK1HRH3ACHEKAT2BCHRNB2
SCHEMBL12767079 0.81 KMT2A (0.41) CCR3HRH3ACHE
SCHEMBL8430036 0.81 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL12424398 0.81 KAT2B (0.47) ACHEKAT2BCHRNB2CHRNA4
SCHEMBL16015389 0.80 PDE2A (0.43) CHRM4
SCHEMBL19160313 0.79 KDM4E (0.49) CCR3ACHE
SCHEMBL30635474 0.78 LTA4H (0.43) JAK1HRH3ACHEKAT2BCHRNB2
SCHEMBL12384405 0.78 MGAT2 (0.42) JAK1HRH3CHRM4ACHEKAT2B
SCHEMBL803677 0.78 KAT2B (0.40) JAK1CCR3HRH3CHRM4ACHE
SCHEMBL12424333 0.76 CHRNB2 (0.66) HRH3CHRNB2CHRNA4

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885CCR3 324/4885HRH3 83/4885

“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.