SCHEMBL10319262

SCHEMBL10319262

C=CCOc1cc(C(=O)OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL30892476 0.88 MYC (0.55) MAPTMYCMAXLMNAKMT2A
SCHEMBL7342938 0.88 MYC (0.55) MAPTMYCMAXLMNAKMT2A
SCHEMBL8788640 0.87 AR (0.44) MAPTMYCMAXLMNAKMT2A
SCHEMBL2146139 0.82 HTT (0.58) MAPTMYCMAXLMNAKMT2A
SCHEMBL12114408 0.81 MAPT (0.50) MAPTMYCMAXLMNAKMT2A
SCHEMBL30669433 0.81 AR (0.56) MYCMAXKMT2ATDP1ALDH1A1
SCHEMBL4983306 0.81 AR (0.56) MYCMAXKMT2ATDP1ALDH1A1
SCHEMBL2978652 0.79 AKR1C3 (0.51) MAPTMYCMAXLMNAKMT2A
SCHEMBL11091089 0.79 CTSV (0.57) MAPTLMNAKMT2ASLC6A2SLC6A3
SCHEMBL2972277 0.78 LMNA (0.57) MAPTLMNAKMT2ASLC6A2SLC6A3

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
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
CN-102421778-A Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO 2012-04-18 CN 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 (1 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-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK MAPT 2816/4885MYC 4522/4885MAX 4803/4885

“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.