SCHEMBL16614786

SCHEMBL16614786

CC(C)c1cc(-c2ccc(C(F)F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.38
CNR2 P34972 1/20 0.38
PARP1 P09874 1/20 0.33
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16598430 0.92 F2RL1 (0.62) F2RL1SMN1; SMN2CNR2PARP1SCN9A
SCHEMBL16614841 0.91 F2RL1 (0.53) F2RL1SMN1; SMN2CNR2PARP1SCN9A
SCHEMBL16614803 0.90 F2RL1 (0.52) F2RL1SMN1; SMN2CNR2PARP1NPC1
SCHEMBL16614850 0.89 F2RL1 (0.52) F2RL1SMN1; SMN2CNR2PARP1SCN9A
SCHEMBL16614846 0.88 F2RL1 (0.53) F2RL1SMN1; SMN2CNR2PARP1SCN9A
SCHEMBL16614634 0.88 F2RL1 (0.51) F2RL1SMN1; SMN2CNR2PARP1
SCHEMBL16614832 0.88 F2RL1 (0.48) F2RL1SMN1; SMN2CNR2PARP1
SCHEMBL16614796 0.88 F2RL1 (0.52) F2RL1SMN1; SMN2CNR2PARP1SCN9A
SCHEMBL16598411 0.87 F2RL1 (0.51) F2RL1SMN1; SMN2CNR2PARP1
SCHEMBL16614787 0.87 F2RL1 (0.51) F2RL1SMN1; SMN2CNR2PARP1SCN9A

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 1/4885SMN1; SMN2 3885/4885CNR2 17/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885CNR2 17/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885SMN1; SMN2 3885/4885CNR2 17/4885

“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.