SCHEMBL16614751

SCHEMBL16614751

Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)[nH]n1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.72
TACR3 P29371 5/20 0.38
ABCG2 Q9UNQ0 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
ABCB1 P08183 1/20 0.33
LMNA P02545 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CA12 O43570 1/20 0.32
ALPL P05186 1/20 0.32
RPA1 P27694 1/20 0.32
KIT P10721 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
SCHEMBL16614821 0.95 F2RL1 (0.65) F2RL1TACR3ABCG2KDM5BPDK1
SCHEMBL16614540 0.95 F2RL1 (0.65) F2RL1TACR3ABCG2KDM5BPDK1
SCHEMBL16614698 0.94 F2RL1 (0.63) F2RL1TACR3KDM5BLMNATACR2
SCHEMBL16614503 0.93 F2RL1 (0.62) F2RL1TACR3LMNA
SCHEMBL16614967 0.93 F2RL1 (0.61) F2RL1TACR3TACR2TACR1
SCHEMBL16615034 0.92 F2RL1 (0.61) F2RL1TACR3LMNA
SCHEMBL16614680 0.92 F2RL1 (0.61) F2RL1TACR3LMNA
SCHEMBL16614911 0.91 F2RL1 (0.59) F2RL1TACR3LMNATACR2TACR1
SCHEMBL16614658 0.91 F2RL1 (0.59) F2RL1TACR3LMNATACR2TACR1
SCHEMBL16614528 0.89 F2RL1 (0.57) F2RL1TACR3LMNATACR2TACR1

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 1/4885TACR3 937/4885ABCG2 1086/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885ABCG2 1086/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885ABCG2 1086/4885

“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.