SCHEMBL16614703

SCHEMBL16614703

Cc1nnc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)o1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.61
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
CFTR P13569 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
ACACA Q13085 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL16614646 0.94 F2RL1 (0.63) F2RL1ALDH1A1HPGDCFTRHSD17B10
SCHEMBL16614737 0.93 F2RL1 (0.72) F2RL1TACR3HPGDCFTRACACA
SCHEMBL16614902 0.92 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16614663 0.91 F2RL1 (0.62) F2RL1CFTR
SCHEMBL16614693 0.91 F2RL1 (0.59) F2RL1CFTR
SCHEMBL16614640 0.91 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16615021 0.89 F2RL1 (0.61) F2RL1CFTR
SCHEMBL16614668 0.85 F2RL1 (0.65) F2RL1TACR3ALDH1A1HPGDCFTR
SCHEMBL16598404 0.84 F2RL1 (0.85) F2RL1TACR3ALDH1A1HPGDNPSR1
SCHEMBL16614967 0.84 F2RL1 (0.61) F2RL1TACR3CYP2C9

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 937/4885ALDH1A1 2459/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885ALDH1A1 2459/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885TACR3 937/4885ALDH1A1 2459/4885

“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.