SCHEMBL3938677

SCHEMBL3938677

COC(=O)c1c(N)c(C#N)cn1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
IMPDH2 P12268 3/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
NR4A2 P43354 1/20 0.33

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
SCHEMBL4373094 0.83 KDM4E (0.64) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL11277817 0.76 TSHR (0.41) KDM4EALDH1A1POLBHPGDGAA
SCHEMBL3937400 0.74 KDM4E (0.38) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL3937406 0.74 KDM4E (0.41) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL3941669 0.74 KDM4E (0.51) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL3933310 0.72 DRD2 (0.38) KDM4EALDH1A1
SCHEMBL27388836 0.69 KDM4E (0.38) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL9475996 0.69 KDM4E (0.48) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL5048134 0.69 ALDH1A1 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL27388776 0.68 KDM4E (0.42) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US 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 (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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP KDM4E 1378/4885ALDH1A1 2709/4885MAPT 72/4885

“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.