SCHEMBL16614637

SCHEMBL16614637

Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cn3n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.61
RIPK1 Q13546 3/20 0.32
USP19 O94966 1/20 0.32
PARP1 P09874 2/20 0.32
F2R P25116 4/20 0.31
CFTR P13569 1/20 0.31
KMO O15229 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL16614797 0.94 F2RL1 (0.61) F2RL1RIPK1USP19PARP1F2R
SCHEMBL16614845 0.94 F2RL1 (0.62) F2RL1RIPK1USP19PARP1F2R
SCHEMBL16614734 0.91 F2RL1 (0.73) F2RL1RIPK1USP19F2RCFTR
SCHEMBL16614750 0.91 F2RL1 (0.59) F2RL1USP19F2RCFTR
SCHEMBL16614860 0.90 F2RL1 (0.63) F2RL1USP19CFTRMAPT
SCHEMBL16615011 0.90 F2RL1 (0.61) F2RL1RIPK1F2RCFTRKMO
SCHEMBL16614965 0.89 F2RL1 (0.61) F2RL1RIPK1USP19PARP1CFTR
SCHEMBL16614722 0.88 F2RL1 (0.62) F2RL1USP19F2RCFTR
SCHEMBL16614857 0.88 F2RL1 (0.62) F2RL1USP19CFTR
SCHEMBL16614628 0.88 F2RL1 (0.63) F2RL1F2RCFTRKMOMAPT

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 1/4885RIPK1 644/4885USP19 4166/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885RIPK1 644/4885USP19 4166/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885RIPK1 644/4885USP19 4166/4885

“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.