SCHEMBL16614680

SCHEMBL16614680

Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)c(C)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.61
TACR3 P29371 1/20 0.35
GRM5 P41594 8/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CFTR P13569 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL16615034 0.94 F2RL1 (0.61) F2RL1TACR3MEN1KMT2ALMNA
SCHEMBL16614658 0.93 F2RL1 (0.59) F2RL1TACR3LMNAMAPTRIPK1
SCHEMBL16614911 0.93 F2RL1 (0.59) F2RL1TACR3LMNARIPK1
SCHEMBL16614751 0.92 F2RL1 (0.72) F2RL1TACR3LMNA
SCHEMBL16614967 0.91 F2RL1 (0.61) F2RL1TACR3MEN1KMT2A
SCHEMBL16614698 0.90 F2RL1 (0.63) F2RL1TACR3LMNAMAPTCFTR
SCHEMBL16614648 0.90 F2RL1 (0.61) F2RL1GRM5KCNQ3KCNQ2CFTR
SCHEMBL16614503 0.89 F2RL1 (0.62) F2RL1TACR3LMNA
SCHEMBL16614795 0.89 F2RL1 (0.61) F2RL1TACR3GRM5MEN1KMT2A
SCHEMBL16614494 0.89 F2RL1 (0.61) F2RL1GRM5KCNQ3KCNQ2CFTR

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 937/4885GRM5 623/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885GRM5 623/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885GRM5 623/4885

“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.