SCHEMBL16614867

SCHEMBL16614867

CC(C)CCCC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)C)c3n2)C[C@@H]1C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.73
KCNH2 Q12809 2/20 0.42
GHSR Q92847 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
SMO Q99835 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ENPP2 Q13822 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL16614933 0.95 F2RL1 (0.75) F2RL1KCNH2GHSRSMYD3SMO
SCHEMBL16614870 0.94 F2RL1 (0.73) F2RL1KCNH2GHSRL3MBTL1SMYD3
SCHEMBL16614936 0.92 F2RL1 (0.75) F2RL1KCNH2GHSRL3MBTL1SMYD3
SCHEMBL16614926 0.91 F2RL1 (0.76) F2RL1KCNH2GHSRSMYD3SMO
SCHEMBL16614937 0.90 F2RL1 (0.72) F2RL1KCNH2GHSRSMYD3
SCHEMBL16614861 0.90 F2RL1 (0.74) F2RL1KCNH2GHSRKDM4EHPGD
SCHEMBL16614932 0.89 F2RL1 (0.71) F2RL1KCNH2GHSRSMYD3SMO
SCHEMBL16614943 0.89 F2RL1 (0.76) F2RL1KCNH2GHSRSMYD3SMO
SCHEMBL16614884 0.89 F2RL1 (0.70) F2RL1KCNH2GHSRSMYD3KDM4E
SCHEMBL16614868 0.89 F2RL1 (0.71) F2RL1KCNH2GHSRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2019-04-25 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
WO-2015048245-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-02 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 (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-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KCNH2 2249/4885GHSR 1959/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885KCNH2 2249/4885GHSR 1959/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885KCNH2 2249/4885GHSR 1959/4885

“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.