SCHEMBL16614639

SCHEMBL16614639

Cc1nc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(C)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)c[nH]1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.62
GRM5 P41594 10/20 0.35
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
CFTR P13569 1/20 0.32
RIPK1 Q13546 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
SCHEMBL16614631 0.88 F2RL1 (0.62) F2RL1GRM5CFTR
SCHEMBL16614492 0.88 F2RL1 (0.58) F2RL1GRM5CFTR
SCHEMBL16614661 0.88 F2RL1 (0.62) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614681 0.87 F2RL1 (0.63) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614494 0.87 F2RL1 (0.61) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614648 0.87 F2RL1 (0.61) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614680 0.87 F2RL1 (0.61) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614640 0.85 F2RL1 (0.61) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614643 0.85 F2RL1 (0.62) F2RL1GRM5KCNQ3KCNQ2
SCHEMBL16614500 0.83 F2RL1 (0.61) F2RL1CFTRRIPK1

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 1/4885GRM5 623/4885KCNQ3 2558/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GRM5 623/4885KCNQ3 2558/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GRM5 623/4885KCNQ3 2558/4885

“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.