SCHEMBL19989759

SCHEMBL19989759

COC(=O)c1cc(-c2ccnc(F)c2F)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 2/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
ABL1 P00519 1/20 0.33
DHODH Q02127 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL19989757 0.82 KDM4E (0.47) CFTRALDH1A1GAAKDM4EGLA
SCHEMBL19990005 0.80 PIK3CB (0.45) CFTRALDH1A1GAAKDM4EGLA
SCHEMBL19989842 0.79 PIK3R2 (0.37) DHODH
SCHEMBL19990011 0.79 ALDH1A1 (0.47) CFTRALDH1A1GAAKDM4EGLA
SCHEMBL19989959 0.79 CFTR (0.34) CFTRALDH1A1GAAKDM4EGLA
SCHEMBL19989944 0.78 AURKB (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19990111 0.78 TGFBR1 (0.34) GAAMAPTMEN1KMT2ADHODH
SCHEMBL19989800 0.76 PIK3R2 (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19990052 0.76 TGFBR1 (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19989780 0.76 SMN1; SMN2 (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227350-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-12 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057810-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 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-10227350-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT1 CFTR 4211/4885ALDH1A1 4716/4885GAA 3085/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 CFTR 4211/4885ALDH1A1 4716/4885GAA 3085/4885

“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.