SCHEMBL16614716

SCHEMBL16614716

O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.59
HPGD P15428 7/20 0.54
HSD17B10 Q99714 6/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP7 P55210 1/20 0.43
DPP4 P27487 1/20 0.41

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
SCHEMBL16614542 0.96 F2RL1 (0.56) F2RL1HPGDHSD17B10RAB9ANPC1
SCHEMBL16614537 0.90 F2RL1 (0.55) F2RL1HPGDHSD17B10RAB9ANPC1
SCHEMBL16614546 0.87 F2RL1 (0.59) F2RL1HPGDHSD17B10RAB9AKDM4E
SCHEMBL16614586 0.87 F2RL1 (0.69) F2RL1HPGDHSD17B10RAB9AHTT
SCHEMBL16614535 0.86 F2RL1 (0.59) F2RL1HPGDHSD17B10RAB9AKDM4E
SCHEMBL16614543 0.86 F2RL1 (0.67) F2RL1HPGDHSD17B10RAB9AMAPT
SCHEMBL16599357 0.85 NPC1 (0.49) F2RL1HPGDHSD17B10RAB9ANPC1
SCHEMBL16614566 0.85 F2RL1 (0.59) F2RL1HPGDHSD17B10RAB9AKDM4E
SCHEMBL16598679 0.84 F2RL1 (0.54) F2RL1HPGDHSD17B10RAB9ANPC1
SCHEMBL16614544 0.84 F2RL1 (0.69) F2RL1HPGDHSD17B10RAB9ANPC1

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 1/4885HPGD 333/4885HSD17B10 4235/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885HSD17B10 4235/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885HPGD 333/4885HSD17B10 4235/4885

“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.