SCHEMBL2397793

SCHEMBL2397793

O=C(O)c1cc(Cl)nc(N2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.58
MAPT P10636 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.50
KMO O15229 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 2/20 0.48
PIK3CG P48736 2/20 0.47
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL21464479 0.85 PIK3CA (0.61) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL30826792 0.85 PIK3CA (0.61) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL1579169 0.83 PIK3CA (0.58) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL1579732 0.82 GAA (0.40) PIK3CAMAPTCYP1A2CYP2D6HTT
SCHEMBL3125978 0.82 CYP1A2 (0.59) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3276269 0.82 PIK3CA (0.58) PIK3CAMAPTKMT2APKMKMO
SCHEMBL3495370 0.81 PTGER4 (0.48) PIK3CACYP1A2CYP2D6KMT2AHTT
SCHEMBL21464485 0.79 PIK3CA (0.63) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL30826798 0.79 PIK3CA (0.63) PIK3CAMAPTCYP1A2CYP2D6KMT2A
SCHEMBL26598472 0.78 ATR (0.49) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029785-A BACTERICIDES, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1977-06-14 US claimed
EP-4111863-A1 PHOSPHORUS USE EFFICIENCY ENHANCERS AS PLANT GROWTH PROMOTORS EuroChem Antwerpen (BE) 2023-01-04 EP disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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 (4 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 PIK3CA 1318/4885MAPT 2817/4885CYP1A2 2229/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 PIK3CA 2039/4885MAPT 3825/4885CYP1A2 1493/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 PIK3CA 1318/4885MAPT 2817/4885CYP1A2 2229/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885MAPT 2636/4885CYP1A2 4503/4885

“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.