SCHEMBL1846643

SCHEMBL1846643

Nc1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.50
CHUK O15111 1/20 0.45
GYS1 P13807 1/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AHR P35869 1/20 0.38
NOTUM Q6P988 3/20 0.38
IDO1 P14902 1/20 0.38
ARF6 P62330 2/20 0.38
KMO O15229 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36

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
SCHEMBL1279682 0.83 IKBKB (0.46) IKBKBGYS1KDM4EALDH1A1MAPT
SCHEMBL2235270 0.81 IKBKB (0.37) IKBKBNOTUMIDO1KDM4EALDH1A1
SCHEMBL20837397 0.78 MAPK14 (0.43) GYS1RAB9ANOTUMIDO1KDM4E
SCHEMBL15742048 0.76 IKBKB (0.62) IKBKBCHUKNPC1RAB9AAHR
SCHEMBL20837302 0.76 ENPP1 (0.41) IKBKBCHUKNPC1L3MBTL1
SCHEMBL20837143 0.76 IKBKB (0.43) IKBKBNOTUMIDO1KDM4EMAPT
SCHEMBL1279168 0.76 L3MBTL1 (0.56) IKBKBGYS1KDM4EALDH1A1MAPT
SCHEMBL7254061 0.75 IKBKB (0.39) IKBKBNOTUMKDM4EALDH1A1
SCHEMBL20837303 0.75 ENPP1 (0.48) IKBKBRAB9ANOTUMIDO1ALDH1A1
SCHEMBL20837136 0.74 IKBKB (0.37) IKBKBNOTUML3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414442-B2 ARF6 inhibitors and related methods NAVIGEN, INC. (US) 2022-08-16 US disclosed
US-11414442-B2 ARF6 inhibitors and related methods NAVIGEN, INC. (US) 2022-08-16 US disclosed
US-20210017201-A1 ARF6 INHIBITORS AND RELATED METHODS NAVIGEN, INC. 2021-01-21 US disclosed
US-20210017201-A1 ARF6 INHIBITORS AND RELATED METHODS NAVIGEN, INC. 2021-01-21 US disclosed
CN-111886225-A ARF6 inhibitors and related methods 纳维根公司 2020-11-03 CN disclosed
EP-3672597-A2 ARF6 INHIBITORS AND RELATED METHODS Navigen, Inc. (US) 2020-07-01 EP disclosed
WO-2019040499-A2 ARF6 INHIBITORS AND RELATED METHODS NAVIGEN, INC. (US) 2019-02-28 WO disclosed
EP-2374791-A1 Insecticidal 4-phenyl-1H pyrazoles Bayer CropScience Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
EP-2321262-A1 INSECTICIDAL 4-PHENYL-1H-PYRAZOLES Bayer CropScience AG (DE) 2011-05-18 EP disclosed
WO-2010017902-A1 INSECTICIDAL 4-PHENYL-1H-PYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-18 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-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles CYP4X1, CYP4B1, CYP3A4 IKBKB 4222/4885CHUK 3906/4885GYS1 2843/4885
US-20210017201-A1 ARF6 INHIBITORS AND RELATED METHODS ARF6, ARF1, ARF5 IKBKB 1984/4885CHUK 1162/4885GYS1 4665/4885
US-11414442-B2 ARF6 inhibitors and related methods ARF6, ARF1, ARF5 IKBKB 1984/4885CHUK 1162/4885GYS1 4665/4885

“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.