SCHEMBL3941669

SCHEMBL3941669

COC(=O)c1c(N)c(C#N)cn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
APP P05067 1/20 0.44
SNCA P37840 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
AR P10275 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK8 P45983 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL3063647 0.88 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL8237441 0.78 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3944634 0.75 TSHR (0.72) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL3938677 0.74 KDM4E (0.45) KDM4EALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL6344602 0.73 SMN1; SMN2 (0.49) KDM4EALDH1A1TDP1SMN1; SMN2CYP1A2
SCHEMBL3937406 0.72 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3937400 0.72 KDM4E (0.38) KDM4EALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL2886988 0.72 NOTUM (0.51) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL10068017 0.71 CYP1A2 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3945094 0.71 EPHX2 (0.41) KDM4EARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 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 (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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP KDM4E 1378/4885ALDH1A1 2709/4885MEN1 1751/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 KDM4E 766/4885ALDH1A1 363/4885MEN1 2523/4885

“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.