Sugi Predict

Sugi Predict / Compounds / SCHEMBL16614570

SCHEMBL16614570

SCHEMBL16614570

C[C@H]1CN(c2cc(-c3ccc(F)cc3)nn3cc(C(=O)N4CCNC(=O)C4(C)C)nc23)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2RL1 P55085 7/20 0.43
▸ CNR2 P34972 1/20 0.39
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ GAK O14976 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ GRM2 Q14416 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
SCHEMBL16614569 1.00 F2RL1 (0.43) F2RL1CNR2HPGDSMN1; SMN2PDE3B
SCHEMBL16614665 0.84 F2RL1 (0.49) F2RL1CNR2SMN1; SMN2CYP11B2PARP1
SCHEMBL16598754 0.83 F2RL1 (0.47) F2RL1CNR2SMN1; SMN2CYP11B2PARP1
SCHEMBL16598430 0.81 F2RL1 (0.62) F2RL1CNR2SMN1; SMN2CYP11B2PARP1
SCHEMBL16598387 0.81 F2RL1 (0.62) F2RL1CNR2SMN1; SMN2ALDH1A1CYP11B2
SCHEMBL16598599 0.81 F2RL1 (0.46) F2RL1CNR2SMN1; SMN2CYP11B2PARP1
SCHEMBL16614896 0.81 F2RL1 (0.46) F2RL1CNR2SMN1; SMN2PARP1
SCHEMBL16598497 0.81 F2RL1 (0.54) F2RL1CNR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL16598431 0.81 F2RL1 (0.44) F2RL1CNR2SMN1; SMN2CYP11B2
SCHEMBL16615056 0.81 F2RL1 (0.55) F2RL1CNR2HPGDSMN1; SMN2ALDH1A1

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 1/4885CNR2 17/4885HPGD 333/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CNR2 17/4885HPGD 333/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CNR2 17/4885HPGD 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.