SCHEMBL7218347

SCHEMBL7218347

[CH2]Cc1cccnc1C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
PLK1 P53350 1/20 0.42
EGLN2 Q96KS0 1/20 0.40
FTO Q9C0B1 1/20 0.40
P2RX7 Q99572 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
YTHDC1 Q96MU7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK1 Q13546 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL15966073 0.86 PARP1 (0.52) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL2160307 0.85 PARP1 (0.51) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL29289961 0.82 PARP1 (0.49) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL27601273 0.81 PARP1 (0.48) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL128967 0.80 L3MBTL1 (0.55) PARP1KDM4EMAPTCYP1A2L3MBTL1
SCHEMBL131588 0.79 KDM4E (0.68) KDM4EMAPTCYP1A2EGLN2FTO
SCHEMBL19539578 0.78 ALDH1A1 (0.47) PARP1KDM4EMAPTCYP1A2ALDH1A1
SCHEMBL317250 0.77 KDM4E (0.47) PARP1KDM4EMAPTCYP1A2EGLN2
SCHEMBL1228642 0.77 GRM4 (0.54) PARP1KDM4ECYP1A2PLK1P2RX7
SCHEMBL21590337 0.77 PARP1 (0.46) PARP1KDM4EMAPTCYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576765-B2 Process for preparing amic acid esters IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 EP 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-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC PARP1 4813/4885KDM4E 2048/4885MAPT 4719/4885

“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.