SCHEMBL19989837

SCHEMBL19989837

COC(=O)c1cc(-c2ccncc2F)cc(Nc2ccnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 4/20 0.48
TGFBR1 P36897 3/20 0.40
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL19989780 0.89 SMN1; SMN2 (0.38) PIK3R2TGFBR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19989758 0.88 PIK3R2 (0.43) PIK3R2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL19989869 0.83 PIK3R2 (0.45) PIK3R2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL19989944 0.82 AURKB (0.35) PIK3R2TGFBR1KDM4EALDH1A1LMNA
SCHEMBL19989875 0.79 NR1H2 (0.39) PIK3R2MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL19989975 0.78 SYK (0.41) PIK3R2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL19990083 0.78 PIK3R2 (0.44) PIK3R2TGFBR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19989800 0.77 PIK3R2 (0.36) PIK3R2TGFBR1KDM4EALDH1A1MAPT
SCHEMBL19990101 0.77 PIK3R2 (0.45) PIK3R2KDM4EALDH1A1LMNANPSR1
SCHEMBL19989834 0.77 PIK3R2 (0.33) PIK3R2KDM4EALDH1A1LMNAMAPT

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 2 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

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 PIK3R2 13/4885TGFBR1 704/4885KDM4E 2967/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 PIK3R2 13/4885TGFBR1 704/4885KDM4E 2967/4885

“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.