SCHEMBL23478708

SCHEMBL23478708

CC(C)(CCC(C)(C)c1cccc(-n2cccn2)c1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ ERCC1 P07992 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL13734402 0.78 ERCC1 (0.52) BRAFCYP2A6TEKFFAR4METAP2
SCHEMBL4406625 0.72 NOTUM (0.44) KIF11ERCC1ERCC4
SCHEMBL13126853 0.69 KIF11 (0.69) KIF11CNR1CNR2GPR55CYP2A6
SCHEMBL21849628 0.69 LMNA (0.40) —
SCHEMBL19592843 0.69 NOTUM (0.49) —
SCHEMBL246203 0.67 CYP2A6 (0.58) CYP2A6NAMPT
SCHEMBL31554123 0.67 CYP2A6 (0.58) CYP2A6NAMPT
SCHEMBL11286034 0.66 NOTUM (0.64) HTR1D
SCHEMBL30402678 0.66 NOTUM (0.64) HTR1D
SCHEMBL514839 0.66 ERCC1 (0.57) FFAR4METAP2ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 — — US disclosed
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 — — 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 (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-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 KIF11 3394/4885CNR1 4862/4885CNR2 4647/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KIF11 3394/4885CNR1 4862/4885CNR2 4647/4885

“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.

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