SCHEMBL16614977

SCHEMBL16614977

Cc1ccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5cnc(C)[nH]5)CC4(C)C)cn3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.62
CFTR P13569 1/20 0.33
MAPT P10636 1/20 0.32
SPR P35270 1/20 0.31
TACR3 P29371 1/20 0.31
ALDH1A1 P00352 3/20 0.31
USP2 O75604 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
KIT P10721 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL16614767 0.94 F2RL1 (0.71) F2RL1CFTRTACR3HPGDKDM4E
SCHEMBL16614667 0.94 F2RL1 (0.60) F2RL1CFTRTACR3ALDH1A1HPGD
SCHEMBL16614999 0.93 F2RL1 (0.61) F2RL1TACR3MKNK1MKNK2
SCHEMBL16614949 0.91 F2RL1 (0.60) F2RL1CFTR
SCHEMBL16614917 0.89 F2RL1 (0.59) F2RL1CFTRTACR3KIT
SCHEMBL16614704 0.89 F2RL1 (0.59) F2RL1CFTRTACR3
SCHEMBL16614698 0.87 F2RL1 (0.63) F2RL1CFTRMAPTTACR3ALDH1A1
SCHEMBL16614647 0.87 F2RL1 (0.63) F2RL1CFTRMAPTTACR3ALDH1A1
SCHEMBL16614641 0.86 F2RL1 (0.65) F2RL1CFTRMAPTALDH1A1USP2
SCHEMBL16614682 0.85 F2RL1 (0.64) F2RL1CFTRMAPTALDH1A1TSHR

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 1/4885CFTR 398/4885MAPT 4428/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885MAPT 4428/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885MAPT 4428/4885

“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.