SCHEMBL16614632

SCHEMBL16614632

Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.60
SETD7 Q8WTS6 2/20 0.44
NTRK1 P04629 4/20 0.42
SPR P35270 2/20 0.40
ABCB1 P08183 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL16614940 0.90 F2RL1 (0.62) F2RL1SETD7NTRK1SPRHPGD
SCHEMBL16615026 0.90 F2RL1 (0.60) F2RL1SETD7NTRK1SPRABCB1
SCHEMBL16615012 0.90 F2RL1 (0.75) F2RL1SETD7NTRK1SPRABCB1
SCHEMBL16598329 0.89 F2RL1 (0.61) F2RL1ABCB1HPGDKDM4EALDH1A1
SCHEMBL16614874 0.88 F2RL1 (0.61) F2RL1HPGDKDM4EGHSR
SCHEMBL16614872 0.86 F2RL1 (0.68) F2RL1HPGDKDM4EHSD17B10GHSR
SCHEMBL16614969 0.86 F2RL1 (0.55) F2RL1SPRKDM4E
SCHEMBL16615022 0.86 F2RL1 (0.59) F2RL1SETD7NTRK1HPGDKDM4E
SCHEMBL16614714 0.84 F2RL1 (0.83) F2RL1HPGDKDM4EGHSR
SCHEMBL28075390 0.84 F2RL1 (0.54) F2RL1ABCB1HPGDKDM4EHSD17B10

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 1/4885SETD7 4422/4885NTRK1 1554/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SETD7 4422/4885NTRK1 1554/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885SETD7 4422/4885NTRK1 1554/4885

“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.