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SCHEMBL16614721

SCHEMBL16614721

Cc1n[nH]cc1C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 7/20 0.73
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ TACR3 P29371 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
SCHEMBL16614752 0.88 F2RL1 (0.71) F2RL1ABCG2KDM4EMEN1CYP1A2
SCHEMBL16614761 0.87 F2RL1 (0.75) F2RL1ABCG2ACACAKDM4EMEN1
SCHEMBL16614824 0.86 F2RL1 (0.82) F2RL1ABCG2ACACAALDH1A1KDM4E
SCHEMBL16614998 0.86 F2RL1 (0.72) F2RL1ABCG2ALDH1A1L3MBTL1KDM4E
SCHEMBL16614760 0.86 F2RL1 (0.74) F2RL1ABCG2KDM4EABCB1CFTR
SCHEMBL16614751 0.86 F2RL1 (0.72) F2RL1ABCG2KDM4EABCB1TACR3
SCHEMBL19910927 0.86 F2RL1 (0.72) F2RL1ABCG2KDM4EMAPTABCB1
SCHEMBL16598681 0.86 F2RL1 (0.72) F2RL1ABCG2ACACAKDM4EABCB1
SCHEMBL16614792 0.85 F2RL1 (0.71) F2RL1ABCG2ACACAALDH1A1L3MBTL1
SCHEMBL16614739 0.85 F2RL1 (0.73) F2RL1ABCG2ALDH1A1KDM4EABCB1

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-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-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 1/4885ABCG2 1086/4885ACACA 4094/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ABCG2 1086/4885ACACA 4094/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ABCG2 1086/4885ACACA 4094/4885

“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.