SCHEMBL16614559

SCHEMBL16614559

CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)CC4CCOCC4)[C@@H](C)C3)nc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.56
GHSR Q92847 1/20 0.36
KCNH2 Q12809 2/20 0.36
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
SMYD3 Q9H7B4 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RIPK3 Q9Y572 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
CFTR P13569 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
SCHEMBL16614862 0.90 F2RL1 (0.69) F2RL1GHSRKCNH2RAB9AHPGD
SCHEMBL16598749 0.86 F2RL1 (0.64) F2RL1GHSRHPGDSMYD3KDM4E
SCHEMBL16614879 0.85 F2RL1 (0.68) F2RL1GHSRKCNH2RAB9AHPGD
SCHEMBL16614875 0.84 F2RL1 (0.74) F2RL1GHSRKCNH2HPGDSMYD3
SCHEMBL16614591 0.83 F2RL1 (0.67) F2RL1GHSRKCNH2HPGDSMYD3
SCHEMBL16614519 0.83 F2RL1 (0.65) F2RL1GHSRKCNH2SMYD3ALDH1A1
SCHEMBL16614935 0.83 F2RL1 (0.72) F2RL1GHSRKCNH2HPGDKDM4E
SCHEMBL16614589 0.82 F2RL1 (0.68) F2RL1GHSRKCNH2HPGDSMYD3
SCHEMBL16614972 0.82 F2RL1 (0.71) F2RL1GHSRKCNH2HPGDKDM4E
SCHEMBL16614580 0.82 F2RL1 (0.69) F2RL1GHSRKCNH2HPGDSMYD3

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 1/4885GHSR 1959/4885KCNH2 2249/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885KCNH2 2249/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885KCNH2 2249/4885

“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.