SCHEMBL16614801

SCHEMBL16614801

Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5nc[nH]n5)CC4(C)C)cn3n2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.61
GRM5 P41594 7/20 0.34
F2R P25116 4/20 0.33
CFTR P13569 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 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
SCHEMBL16615068 0.94 F2RL1 (0.61) F2RL1F2RCFTR
SCHEMBL16614775 0.91 F2RL1 (0.72) F2RL1GRM5F2RCFTR
SCHEMBL16615058 0.91 F2RL1 (0.62) F2RL1F2RCFTR
SCHEMBL16614625 0.90 F2RL1 (0.63) F2RL1GRM5F2RCFTR
SCHEMBL16614764 0.89 F2RL1 (0.62) F2RL1F2RCFTR
SCHEMBL16614758 0.88 F2RL1 (0.63) F2RL1F2RCFTR
SCHEMBL16614746 0.86 F2RL1 (0.61) F2RL1GRM5F2RAKT1
SCHEMBL16614795 0.86 F2RL1 (0.61) F2RL1GRM5F2RAKT1
SCHEMBL16614631 0.86 F2RL1 (0.62) F2RL1GRM5F2RCFTRAKT1
SCHEMBL16614621 0.86 F2RL1 (0.62) F2RL1GRM5F2RCFTR

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

“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.