SCHEMBL16614563

SCHEMBL16614563

COC(=O)C1CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)cc5)cc(C(C)C)c4n3)C(C)(C)C2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 8/20 0.60
F2R P25116 4/20 0.35
TACR3 P29371 2/20 0.34
CFTR P13569 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CCR1 P32246 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
CCKAR P32238 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL18179265 1.00 F2RL1 (0.60) F2RL1F2RTACR3CFTRTDP1
SCHEMBL16614594 0.94 F2RL1 (0.60) F2RL1F2RTACR3TDP1CCR1
SCHEMBL16614670 0.94 F2RL1 (0.60) F2RL1F2RTACR3TDP1CCR1
SCHEMBL16614564 0.93 F2RL1 (0.63) F2RL1F2RTACR3CCR1KCNK3
SCHEMBL16614565 0.93 F2RL1 (0.63) F2RL1F2RTACR3CCR1KCNK3
SCHEMBL16614656 0.91 F2RL1 (0.63) F2RL1F2RTACR3CFTRCCR1
SCHEMBL16614508 0.91 F2RL1 (0.63) F2RL1F2RTACR3CFTRCCR1
SCHEMBL16614554 0.89 F2RL1 (0.64) F2RL1F2RTACR3CFTRCCR1
SCHEMBL16614596 0.88 F2RL1 (0.63) F2RL1F2RTACR3CCR1SMN1; SMN2
SCHEMBL16614599 0.88 F2RL1 (0.63) F2RL1F2RTACR3CCR1SMN1; SMN2

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