SCHEMBL16614784

SCHEMBL16614784

CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccccn4)CC3(C)C)nc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.63
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
SYK P43405 1/20 0.39
CFTR P13569 1/20 0.38
EPHX2 P34913 1/20 0.37
TACR3 P29371 1/20 0.34
SLC6A7 Q99884 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSA P10619 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16614619 0.93 F2RL1 (0.65) F2RL1CFTRTACR3SLC6A7ABL1
SCHEMBL16614800 0.92 F2RL1 (0.74) F2RL1L3MBTL1CFTRSMN1; SMN2
SCHEMBL16614718 0.91 F2RL1 (0.63) F2RL1CFTRKDM4EHPGDMEN1
SCHEMBL16614858 0.91 F2RL1 (0.62) F2RL1SYKCFTRABL1BCR
SCHEMBL16614649 0.89 F2RL1 (0.63) F2RL1L3MBTL1HTTSYKCFTR
SCHEMBL16614638 0.88 F2RL1 (0.62) F2RL1L3MBTL1CFTRALDH1A1
SCHEMBL16614621 0.88 F2RL1 (0.62) F2RL1L3MBTL1CFTR
SCHEMBL16614946 0.87 F2RL1 (0.69) F2RL1TRPV1
SCHEMBL16614636 0.86 F2RL1 (0.62) F2RL1CFTRTACR3KDM4EHPGD
SCHEMBL16614857 0.86 F2RL1 (0.62) F2RL1CFTRTACR3KDM4EHPGD

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 1/4885L3MBTL1 4764/4885HTT 3221/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885L3MBTL1 4764/4885HTT 3221/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885L3MBTL1 4764/4885HTT 3221/4885

“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.