SCHEMBL16614511

SCHEMBL16614511

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

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.77
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KIT P10721 1/20 0.32
NAAA Q02083 1/20 0.32
ABCB1 P08183 1/20 0.32
CFTR P13569 1/20 0.31
PRCP P42785 1/20 0.31
ACACA Q13085 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HTR2A P28223 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL16614684 0.91 F2RL1 (0.73) F2RL1ALDH1A1LMNAHPGDKDM4E
SCHEMBL16614576 0.90 F2RL1 (0.79) F2RL1ALDH1A1HPGDKDM4EABCG2
SCHEMBL16614824 0.90 F2RL1 (0.82) F2RL1ALDH1A1HPGDKDM4EABCG2
SCHEMBL16614720 0.89 F2RL1 (0.79) F2RL1HPGDKDM4EABCG2HSD17B10
SCHEMBL16614768 0.88 F2RL1 (0.76) F2RL1HPGDKDM4E
SCHEMBL16614897 0.88 F2RL1 (0.76) F2RL1ALDH1A1HPGDKDM4EABCG2
SCHEMBL16614745 0.87 F2RL1 (0.75) F2RL1ALDH1A1HPGDKDM4EABCG2
SCHEMBL16598729 0.87 F2RL1 (0.77) F2RL1ALDH1A1HPGDKDM4EABCG2
SCHEMBL16598394 0.87 F2RL1 (1.00) F2RL1ALDH1A1GAAHPGDKDM4E
SCHEMBL16614719 0.87 F2RL1 (0.77) F2RL1HPGDKDM4EABCG2KIT

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 1/4885ALDH1A1 2459/4885LMNA 1735/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ALDH1A1 2459/4885LMNA 1735/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ALDH1A1 2459/4885LMNA 1735/4885

“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.