SCHEMBL16600044

SCHEMBL16600044

O=C(c1cncc(Br)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HCAR2 Q8TDS4 1/20 0.60
KDM4E B2RXH2 1/20 0.53
HTT P42858 4/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 2/20 0.42

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
SCHEMBL10001178 0.81 POLB (0.60) POLBHCAR2KDM4EHTTALOX15
SCHEMBL31137907 0.78 POLB (0.67) POLBHCAR2KDM4EHTTALOX15
SCHEMBL578591 0.78 POLB (0.67) POLBHCAR2KDM4EHTTALOX15
SCHEMBL2560056 0.77 CES1 (0.48)
SCHEMBL22569116 0.77 HTT (0.78) POLBHCAR2KDM4EHTTALOX15
SCHEMBL23181527 0.77 HCAR2 (0.41) POLBHCAR2
SCHEMBL7974908 0.77 HCAR2 (0.60) HCAR2SMYD3
SCHEMBL3473330 0.77 HCAR2 (0.60) HCAR2HTTRAB9ASMYD3
SCHEMBL24198782 0.77 POLB (0.55) POLBHCAR2KDM4EHTTALOX15
Hydrochloric Acid SCHEMBL31575651 0.76 POLB (0.64) POLBHCAR2KDM4EHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3412668-B1 A SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA VERTEX PHARMA (US) 2020-02-05 EP disclosed
US-10301304-B2 Selective inhibitor of phosphatidylinositol 3-kinase-gamma VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-28 US disclosed
EP-3412668-A2 A SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA Vertex Pharmaceuticals Incorporated (US) 2018-12-12 EP disclosed
EP-3049415-B1 A SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA VERTEX PHARMA (US) 2018-07-04 EP disclosed
EP-3049415-A1 A SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA Vertex Pharmaceuticals Inc. (US) 2016-08-03 EP disclosed
US-20160214980-A1 SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA VERTEX PHARMACEUTICALS INCORPORATED 2016-07-28 US disclosed
US-20160214980-A1 SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA VERTEX PHARMACEUTICALS INCORPORATED 2016-07-28 US disclosed
WO-2015048318-A1 A SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA 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 (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-10301304-B2 Selective inhibitor of phosphatidylinositol 3-kinase-gamma PIK3CA, PIK3CG, PIK3CD POLB 1235/4885HCAR2 4223/4885KDM4E 1682/4885
US-20160214980-A1 SELECTIVE INHIBITOR OF PHOSPHATIDYLINOSITOL 3-KINASE-GAMMA PIK3CA, PIK3CG, PIK3CD POLB 1235/4885HCAR2 4223/4885KDM4E 1682/4885

“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.