SCHEMBL16614499

SCHEMBL16614499

Cc1cccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5ncccn5)CC4(C)C)cn3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.59
GRM5 P41594 1/20 0.38
KMO O15229 2/20 0.37
CFTR P13569 1/20 0.35
LMNA P02545 2/20 0.34
SLC6A7 Q99884 1/20 0.33
TP53 P04637 1/20 0.33
GRIN2B Q13224 1/20 0.33
DPP4 P27487 1/20 0.32
ABCB1 P08183 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL16614493 0.92 F2RL1 (0.58) F2RL1GRM5CFTRLMNA
SCHEMBL16614641 0.92 F2RL1 (0.65) F2RL1GRM5CFTRSLC6A7TP53
SCHEMBL16614681 0.89 F2RL1 (0.63) F2RL1GRM5CFTR
SCHEMBL16614960 0.89 F2RL1 (0.63) F2RL1GRM5KMOCFTRTP53
SCHEMBL16614736 0.88 F2RL1 (0.76) F2RL1GRM5CFTRSLC6A7ABCB1
SCHEMBL16614668 0.88 F2RL1 (0.65) F2RL1CFTRSLC6A7
SCHEMBL16614527 0.88 F2RL1 (0.57) F2RL1GRM5CFTRLMNADPP4
SCHEMBL16614492 0.88 F2RL1 (0.58) F2RL1GRM5CFTRLMNADPP4
SCHEMBL16614529 0.88 F2RL1 (0.58) F2RL1GRM5LMNADPP4ABCB1
SCHEMBL16614642 0.87 F2RL1 (0.65) F2RL1CFTRSLC6A7

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 623/4885KMO 974/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GRM5 623/4885KMO 974/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GRM5 623/4885KMO 974/4885

“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.