SCHEMBL16614912

SCHEMBL16614912

CC(C)(C)c1cc(-c2ccc(F)cc2F)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 5/20 0.50
PARP1 P09874 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CNR2 P34972 1/20 0.36
HDAC2 Q92769 2/20 0.35
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 1/20 0.32
SSTR5 P35346 1/20 0.32
GRM5 P41594 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 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
SCHEMBL16615035 0.93 F2RL1 (0.49) F2RL1PARP1HDAC1HDAC6HDAC5
SCHEMBL16614913 0.91 F2RL1 (0.47) F2RL1PARP1HDAC1HDAC6HDAC5
SCHEMBL16598387 0.89 F2RL1 (0.62) F2RL1PARP1CNR2SMN1; SMN2
SCHEMBL16614908 0.87 F2RL1 (0.50) F2RL1PARP1HDAC1HDAC6HDAC5
SCHEMBL16614754 0.86 F2RL1 (0.53) F2RL1PARP1HDAC1HDAC6HDAC5
SCHEMBL16614728 0.85 F2RL1 (0.52) F2RL1PARP1CNR2SMN1; SMN2
SCHEMBL16615067 0.85 F2RL1 (0.51) F2RL1PARP1CNR2SMN1; SMN2GRM5
SCHEMBL16614779 0.85 F2RL1 (0.51) F2RL1PARP1HDAC1HDAC6HDAC5
SCHEMBL16614962 0.84 F2RL1 (0.51) F2RL1PARP1CNR2SMN1; SMN2KMO
SCHEMBL16614539 0.84 F2RL1 (0.51) F2RL1PARP1HDAC1HDAC6HDAC5

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 1/4885PARP1 67/4885HDAC1 2295/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885PARP1 67/4885HDAC1 2295/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885PARP1 67/4885HDAC1 2295/4885

“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.