SCHEMBL16614799

SCHEMBL16614799

Cc1cccc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.47
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM5A P29375 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
CTSA P10619 1/20 0.33
GRM5 P41594 1/20 0.33
KMO O15229 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PARP1 P09874 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
SCHEMBL16614841 0.91 F2RL1 (0.53) F2RL1CNR2SMN1; SMN2KDM5AHCRTR1
SCHEMBL16614832 0.88 F2RL1 (0.48) F2RL1CNR2SMN1; SMN2KMOTP53
SCHEMBL16598411 0.87 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2GRM5PARP1
SCHEMBL16614815 0.87 F2RL1 (0.48) F2RL1CNR2SMN1; SMN2GRM5TP53
SCHEMBL16614787 0.87 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2KMOPARP1
SCHEMBL16614846 0.87 F2RL1 (0.53) F2RL1CNR2SMN1; SMN2CTSAKMO
SCHEMBL16614771 0.87 F2RL1 (0.47) F2RL1CNR2SMN1; SMN2HCRTR1HCRTR2
SCHEMBL16598430 0.86 F2RL1 (0.62) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16614786 0.85 F2RL1 (0.53) F2RL1CNR2SMN1; SMN2KDM4EPARP1
SCHEMBL16614729 0.85 F2RL1 (0.51) F2RL1CNR2SMN1; SMN2KMOPARP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

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