SCHEMBL14979273

SCHEMBL14979273

C=C1Nc2cc(CO)cnc2N2CCC[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
PARP1 P09874 4/20 0.33
CHEK1 O14757 1/20 0.33
MAP2K1 Q02750 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
POLB P06746 1/20 0.31
MAPK10 P53779 1/20 0.30
CDK5 Q00535 1/20 0.30
DYRK1A Q13627 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL14979244 0.96 KDM4E (0.44) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL710428 0.85 ALDH1A1 (0.67) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL3783253 0.85 ALDH1A1 (0.67) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL14979260 0.82 KDM4E (0.33) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL710523 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL6125325 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL708661 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL710138 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL710509 0.77 ALDH1A1 (0.56) KDM4EALDH1A1HPGDALOX15KMT2A
SCHEMBL10243032 0.74 MEN1 (0.43) KDM4EALDH1A1HPGDALOX15KMT2A

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-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 US disclosed
US-8450323-B2 Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 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 (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-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 KDM4E 1974/4885ALDH1A1 734/4885HPGD 667/4885

“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.