SCHEMBL3567896

SCHEMBL3567896

O=C(O)NCc1cc(F)c(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
P2RX7 Q99572 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.37
WDR5 P61964 1/20 0.37

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
SCHEMBL22574502 0.86 MEP1B (0.46) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18415491 0.85 CES2 (0.43) TSHRCES2CES1CA1CA2
SCHEMBL23808921 0.82 KMT2A (0.47) CES2CES1ROCK2ROCK1ALDH1A1
SCHEMBL30223240 0.82 CYP2C9 (0.48) TSHRCYP2C9CYP2C19CES2CES1
SCHEMBL3563691 0.81 METAP2 (0.47) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3569391 0.80 P2RX7 (0.49) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31354763 0.80 RAB9A (0.44) CES2CES1CA1CA2CA9
SCHEMBL20194505 0.80 MMP13 (0.41) CES2CES1CA1CA2CA9
SCHEMBL30223383 0.79 P2RX7 (0.39) CES2CES1CA1CA2CA9
SCHEMBL31332476 0.78 ERCC1 (0.58) TSHREPHX2NR1H4ALDH1A1

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
EP-3893645-B1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2024-04-17 EP disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 US disclosed
EP-3893645-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-10-20 EP disclosed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 WO disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US 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 (2 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP TSHR 2037/4885CYP1A2 237/4885CYP2D6 428/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY TSHR 1602/4885CYP1A2 563/4885CYP2D6 344/4885

“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.