SCHEMBL16614844

SCHEMBL16614844

Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccncn5)CC4(C)C)cn3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.63
CFTR P13569 1/20 0.36
CCKAR P32238 2/20 0.32
CCR8 P51685 3/20 0.32
KCNH2 Q12809 3/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
TSHR P16473 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 3/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 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
SCHEMBL16614774 0.93 F2RL1 (0.73) F2RL1CFTRCCKARCCR8KCNH2
SCHEMBL16614858 0.91 F2RL1 (0.62) F2RL1CFTRCCR8KCNH2AXL
SCHEMBL16614802 0.90 F2RL1 (0.61) F2RL1CFTRGRM5
SCHEMBL16614848 0.90 F2RL1 (0.62) F2RL1CFTRCCR8KCNH2AXL
SCHEMBL16614822 0.87 F2RL1 (0.59) F2RL1CFTRAXLFLT3TYRO3
SCHEMBL16614947 0.85 F2RL1 (0.70) F2RL1CFTRCCKARTSHRKDM4E
SCHEMBL16614860 0.85 F2RL1 (0.63) F2RL1CFTRTSHRKDM4EALDH1A1
SCHEMBL16615058 0.84 F2RL1 (0.62) F2RL1CFTRCCKARTSHRKDM4E
SCHEMBL16614725 0.83 F2RL1 (0.77) F2RL1CFTRPOLBGRM5
SCHEMBL16615057 0.83 F2RL1 (0.63) F2RL1CFTRTSHRKDM4EALDH1A1

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 1/4885CFTR 398/4885CCKAR 459/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885CCKAR 459/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885CFTR 398/4885CCKAR 459/4885

“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.