SCHEMBL16614957

SCHEMBL16614957

C[C@@H]1C[C@H](c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)nc23)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.52
TACR3 P29371 2/20 0.32
HPGD P15428 1/20 0.32
USP19 O94966 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ABCB1 P08183 1/20 0.31
CFTR P13569 1/20 0.31
RORC P51449 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16614987 0.84 F2RL1 (0.74) F2RL1HPGDABCB1
SCHEMBL16614734 0.84 F2RL1 (0.73) F2RL1TACR3HPGDUSP19ABCG2
SCHEMBL16614885 0.84 F2RL1 (0.73) F2RL1TACR3HPGDUSP19ABCG2
SCHEMBL16614772 0.84 F2RL1 (0.64) F2RL1TACR3HPGDUSP19ABCG2
SCHEMBL16614964 0.83 F2RL1 (0.53) F2RL1HPGDABCG2ABCB1SMN1; SMN2
SCHEMBL16598506 0.80 F2RL1 (0.63) F2RL1HPGDABCG2ABCB1CFTR
SCHEMBL16614647 0.78 F2RL1 (0.63) F2RL1TACR3HPGDUSP19CFTR
SCHEMBL16614860 0.78 F2RL1 (0.63) F2RL1TACR3HPGDUSP19CFTR
SCHEMBL16614845 0.77 F2RL1 (0.62) F2RL1TACR3USP19CFTR
SCHEMBL16614526 0.77 F2RL1 (0.62) F2RL1TACR3USP19CFTR

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 1/4885TACR3 937/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885HPGD 333/4885

“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.