SCHEMBL16614743

SCHEMBL16614743

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.62
ENPP2 Q13822 2/20 0.33
MCHR1 Q99705 2/20 0.32
CFTR P13569 1/20 0.32
F2R P25116 4/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TLR4 O00206 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL16615005 0.93 F2RL1 (0.72) F2RL1CFTRF2R
SCHEMBL16615007 0.93 F2RL1 (0.63) F2RL1CFTRF2RKDM4EALDH1A1
SCHEMBL16614759 0.91 F2RL1 (0.61) F2RL1ENPP2CFTRF2R
SCHEMBL16614769 0.89 F2RL1 (0.61) F2RL1F2R
SCHEMBL16615008 0.89 F2RL1 (0.61) F2RL1CFTRF2R
SCHEMBL16614722 0.83 F2RL1 (0.62) F2RL1CFTRF2RKDM4EALDH1A1
SCHEMBL16614777 0.83 F2RL1 (0.62) F2RL1CFTRF2RKDM4EALDH1A1
SCHEMBL16614764 0.83 F2RL1 (0.62) F2RL1CFTRF2R
SCHEMBL16614737 0.81 F2RL1 (0.72) F2RL1CFTRKDM4EHPGDTSHR
SCHEMBL16614646 0.81 F2RL1 (0.63) F2RL1CFTRKDM4EALDH1A1TLR4

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 1/4885ENPP2 29/4885MCHR1 1601/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ENPP2 29/4885MCHR1 1601/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ENPP2 29/4885MCHR1 1601/4885

“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.