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Sugi Predict / Compounds / SCHEMBL16614851

SCHEMBL16614851

SCHEMBL16614851

CC(C)c1cc(-c2cccc(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 8/20 0.68
▸ ABCB1 P08183 3/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CCKAR P32238 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F2R P25116 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FASN P49327 1/20 0.33

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
SCHEMBL16614733 0.92 F2RL1 (0.70) F2RL1F2R
SCHEMBL16614855 0.92 F2RL1 (0.69) F2RL1ABCB1ABCG2ALDH1A1HPGD
SCHEMBL16614958 0.91 F2RL1 (0.63) F2RL1ABCB1TP53FASN
SCHEMBL16614592 0.91 F2RL1 (0.81) F2RL1ABCG2HPGDF2RKDM4E
SCHEMBL16615019 0.91 F2RL1 (0.62) F2RL1ABCB1
SCHEMBL16614852 0.90 F2RL1 (0.68) F2RL1F2RMAPTTP53FASN
SCHEMBL16614738 0.90 F2RL1 (0.69) F2RL1F2RFASN
SCHEMBL16614773 0.88 F2RL1 (0.68) F2RL1F2R
SCHEMBL16614947 0.87 F2RL1 (0.70) F2RL1CCKARALDH1A1HPGDKMT2A
SCHEMBL16614732 0.87 F2RL1 (0.66) F2RL1F2R

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 1/4885ABCB1 1148/4885ABCG2 1086/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885ABCB1 1148/4885ABCG2 1086/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885ABCB1 1148/4885ABCG2 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.