SCHEMBL16614571

SCHEMBL16614571

CC(C)[C@@H](O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(N4C[C@@H](C)O[C@@H](C)C4)c3n2)C(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.56
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
BRD4 O60885 1/20 0.31
ABCB1 P08183 1/20 0.31
GAK O14976 1/20 0.31
CNR2 P34972 1/20 0.31
GRM2 Q14416 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
SCHEMBL16614605 0.89 F2RL1 (0.58) F2RL1HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL16614691 0.85 F2RL1 (0.61) F2RL1HPGDKDM4EHSD17B10ABCG2
SCHEMBL16614561 0.84 F2RL1 (0.77) F2RL1HPGDKDM4EABCG2ABCB1
SCHEMBL16614545 0.84 F2RL1 (0.63) F2RL1HPGDSMN1; SMN2KDM4EABCG2
SCHEMBL16614553 0.78 F2RL1 (0.79) F2RL1HPGDKDM4EABCG2ABCB1
SCHEMBL16614570 0.78 F2RL1 (0.43) F2RL1HPGDSMN1; SMN2ALDH1A1GAK
SCHEMBL16614569 0.78 F2RL1 (0.43) F2RL1HPGDSMN1; SMN2ALDH1A1GAK
SCHEMBL16599187 0.77 F2RL1 (0.63) F2RL1HPGDKDM4ETSHRHSD17B10
SCHEMBL16598504 0.77 F2RL1 (0.68) F2RL1HPGDKDM4EALDH1A1TSHR
SCHEMBL18179256 0.77 F2RL1 (0.61) F2RL1HPGDKDM4EABCG2ABCB1

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 1/4885HPGD 333/4885SMN1; SMN2 3885/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885SMN1; SMN2 3885/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885SMN1; SMN2 3885/4885

“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.