SCHEMBL16614554

SCHEMBL16614554

CC(C)c1cc(-c2ccc(Cl)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H]4C[C@@](C)(O)C4)CC3(C)C)nc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.64
F2R P25116 4/20 0.34
TACR3 P29371 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR1 P32246 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPT P10636 1/20 0.31
CFTR P13569 1/20 0.30
CCKAR P32238 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
SCHEMBL16614582 0.93 F2RL1 (0.62) F2RL1F2RTACR3ALDH1A1HPGD
SCHEMBL16615059 0.93 F2RL1 (0.65) F2RL1F2RALDH1A1HPGDHSD17B10
SCHEMBL16614744 0.92 F2RL1 (0.75) F2RL1F2RALDH1A1HPGDHSD17B10
SCHEMBL16598660 0.92 F2RL1 (0.75) F2RL1F2RALDH1A1HPGDHSD17B10
SCHEMBL16614687 0.92 F2RL1 (0.62) F2RL1F2R
SCHEMBL16614508 0.92 F2RL1 (0.63) F2RL1F2RTACR3ALDH1A1HPGD
SCHEMBL16614596 0.92 F2RL1 (0.63) F2RL1F2RTACR3ALDH1A1SMN1; SMN2
SCHEMBL16614565 0.92 F2RL1 (0.63) F2RL1F2RTACR3ALDH1A1HPGD
SCHEMBL16614599 0.92 F2RL1 (0.63) F2RL1F2RTACR3ALDH1A1SMN1; SMN2
SCHEMBL16614656 0.92 F2RL1 (0.63) F2RL1F2RTACR3ALDH1A1HPGD

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 1/4885F2R 2/4885TACR3 937/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885F2R 2/4885TACR3 937/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885F2R 2/4885TACR3 937/4885

“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.