SCHEMBL16614850

SCHEMBL16614850

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.52
SCN9A Q15858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RAD51 Q06609 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DRD2 P14416 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33
PARP1 P09874 1/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 1/20 0.33

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 0.91 F2RL1 (0.62) F2RL1SCN9ASMN1; SMN2CNR2HDAC1
SCHEMBL16614841 0.90 F2RL1 (0.53) F2RL1SCN9ASMN1; SMN2CNR2HCRTR1
SCHEMBL16614786 0.89 F2RL1 (0.53) F2RL1SCN9ASMN1; SMN2CNR2PARP1
SCHEMBL16614803 0.89 F2RL1 (0.52) F2RL1SMN1; SMN2CNR2PARP1
SCHEMBL16614828 0.89 F2RL1 (0.50) F2RL1SCN9ASMN1; SMN2CNR2HDAC1
SCHEMBL16614846 0.88 F2RL1 (0.53) F2RL1SCN9ASMN1; SMN2CNR2HDAC1
SCHEMBL16598391 0.88 F2RL1 (0.53) F2RL1SCN9ASMN1; SMN2CNR2HDAC1
SCHEMBL16614787 0.86 F2RL1 (0.51) F2RL1SCN9ASMN1; SMN2CNR2HDAC1
SCHEMBL16598411 0.86 F2RL1 (0.51) F2RL1SMN1; SMN2CNR2PARP1
SCHEMBL16614634 0.85 F2RL1 (0.51) F2RL1SMN1; SMN2CNR2HDAC1HDAC6

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 1/4885SCN9A 4201/4885SMN1; SMN2 3885/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885SCN9A 4201/4885SMN1; SMN2 3885/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885SCN9A 4201/4885SMN1; SMN2 3885/4885

“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.