SCHEMBL16614588

SCHEMBL16614588

C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)C(O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.66
GHSR Q92847 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PRCP P42785 1/20 0.34
MGLL Q99685 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMO Q99835 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CHRM1 P11229 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL16614970 0.89 F2RL1 (0.80) F2RL1GHSRMGLLSMOSMYD3
SCHEMBL16614613 0.88 F2RL1 (0.65) F2RL1GHSRHPGDKDM4EPRCP
SCHEMBL16614577 0.87 F2RL1 (0.66) F2RL1GHSRHPGDKDM4EPDK2
SCHEMBL16614587 0.86 F2RL1 (0.58) F2RL1GHSRSMO
SCHEMBL16614516 0.86 F2RL1 (0.56) F2RL1GHSRPDK2PDK1PDK3
SCHEMBL16598782 0.86 F2RL1 (0.61) F2RL1GHSRHPGDKDM4EPDK2
SCHEMBL16598656 0.86 F2RL1 (0.61) F2RL1GHSRHPGDKDM4EPDK2
SCHEMBL16614979 0.84 F2RL1 (0.58) F2RL1GHSRHPGDKDM4EPDK2
SCHEMBL16614568 0.84 F2RL1 (0.55) F2RL1GHSRHPGDKDM4EPDK2
SCHEMBL16598314 0.82 F2RL1 (0.58) F2RL1GHSRHPGDKDM4EPDK2

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 1/4885GHSR 1959/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GHSR 1959/4885HPGD 333/4885

“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.