SCHEMBL16614493

SCHEMBL16614493

Cc1cccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccccn5)CC4(C)C)cn3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.58
GRM5 P41594 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
CFTR P13569 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RBP4 P02753 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
SYK P43405 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
SCHEMBL16614682 0.92 F2RL1 (0.64) F2RL1GRM5SMN1; SMN2GAACFTR
SCHEMBL16614499 0.92 F2RL1 (0.59) F2RL1GRM5CFTRLMNA
SCHEMBL16614959 0.89 F2RL1 (0.62) F2RL1GRM5GAACFTRALDH1A1
SCHEMBL16614661 0.89 F2RL1 (0.62) F2RL1GRM5GAACFTRRBP4
SCHEMBL16614741 0.89 F2RL1 (0.74) F2RL1GRM5GAACFTRRBP4
SCHEMBL16614657 0.89 F2RL1 (0.63) F2RL1SMN1; SMN2CFTRALDH1A1RBP4
SCHEMBL16614492 0.88 F2RL1 (0.58) F2RL1GRM5CFTRLMNA
SCHEMBL16614649 0.87 F2RL1 (0.63) F2RL1CFTRRBP4L3MBTL1SYK
SCHEMBL16614705 0.87 F2RL1 (0.61) F2RL1GRM5CFTRRBP4L3MBTL1
SCHEMBL16614711 0.87 F2RL1 (0.61) F2RL1GRM5CFTRRBP4L3MBTL1

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 1/4885GRM5 623/4885SMN1; SMN2 3885/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GRM5 623/4885SMN1; SMN2 3885/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GRM5 623/4885SMN1; 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.