SCHEMBL3934982

SCHEMBL3934982

N#CC(C#N)=CNc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.49
ALDH1A1 P00352 5/20 0.47
PKM P14618 2/20 0.46
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MAPK1 P28482 2/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
ALOX12 P18054 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
G6PD P11413 1/20 0.37

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
SCHEMBL11299688 0.79 GAA (0.49) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL12484685 0.79 KMT2A (0.58) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL22307389 0.79 KMT2A (0.58) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL22307316 0.79 KMT2A (0.58) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL22307393 0.79 KMT2A (0.49) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL5799020 0.78 GAA (0.61) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL22307388 0.75 ALDH1A1 (0.58) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL22307387 0.75 KMT2A (0.53) KMT2AKDM4EGAAALDH1A1HTT
SCHEMBL22307391 0.75 KMT2A (0.57) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL987696 0.70 MAPT (0.77) KMT2AMEN1KDM4EALDH1A1MAPT

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 KMT2A 3128/4885MEN1 1751/4885KDM4E 1378/4885

“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.