SCHEMBL16614647

SCHEMBL16614647

Cc1ccc(-c2cc(C(C)(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cn3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.63
USP19 O94966 1/20 0.34
TACR3 P29371 2/20 0.33
CFTR P13569 1/20 0.33
USP2 O75604 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16614961 0.93 F2RL1 (0.62) F2RL1USP19TACR3CFTRCYP3A4
SCHEMBL16614885 0.93 F2RL1 (0.73) F2RL1USP19TACR3CFTRKDM4E
SCHEMBL16614527 0.92 F2RL1 (0.57) F2RL1USP19TACR3CFTRALDH1A1
SCHEMBL16614526 0.92 F2RL1 (0.62) F2RL1USP19TACR3CFTR
SCHEMBL16614965 0.90 F2RL1 (0.61) F2RL1USP19CFTR
SCHEMBL16614648 0.90 F2RL1 (0.61) F2RL1USP19CFTR
SCHEMBL16614698 0.89 F2RL1 (0.63) F2RL1TACR3CFTRUSP2TSHR
SCHEMBL16614710 0.88 F2RL1 (0.60) F2RL1USP19TACR3CFTR
SCHEMBL16614694 0.88 F2RL1 (0.60) F2RL1USP19TACR3CFTR
SCHEMBL16614860 0.88 F2RL1 (0.63) F2RL1USP19TACR3CFTRUSP2

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 1/4885USP19 4166/4885TACR3 937/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885USP19 4166/4885TACR3 937/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885USP19 4166/4885TACR3 937/4885

“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.