SCHEMBL16614860

SCHEMBL16614860

Cc1ccc(-c2cc(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
USP2 O75604 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TACR3 P29371 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CFTR P13569 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM5A P29375 1/20 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
MAPT P10636 1/20 0.30
CYP2C9 P11712 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
SCHEMBL16614734 0.93 F2RL1 (0.73) F2RL1USP19TACR3KDM4ECFTR
SCHEMBL16614722 0.92 F2RL1 (0.62) F2RL1USP19USP2TSHRALDH1A1
SCHEMBL16614857 0.91 F2RL1 (0.62) F2RL1USP19ALDH1A1TACR3KDM4E
SCHEMBL16614797 0.90 F2RL1 (0.61) F2RL1USP19
SCHEMBL16614637 0.90 F2RL1 (0.61) F2RL1USP19CFTRMAPT
SCHEMBL16614845 0.90 F2RL1 (0.62) F2RL1USP19TACR3CFTR
SCHEMBL16615057 0.89 F2RL1 (0.63) F2RL1USP2TSHRALDH1A1TACR3
SCHEMBL16614647 0.88 F2RL1 (0.63) F2RL1USP19USP2TSHRALDH1A1
SCHEMBL16614750 0.87 F2RL1 (0.59) F2RL1USP19CFTR
SCHEMBL16615048 0.86 F2RL1 (0.63) F2RL1USP2TSHRALDH1A1TACR3

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 4166/4885USP2 2655/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885USP19 4166/4885USP2 2655/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885USP19 4166/4885USP2 2655/4885

“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.