SCHEMBL3944634

SCHEMBL3944634

COC(=O)c1c(N)c(C#N)c(C)n1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
ALDH1A1 P00352 5/20 0.70
AR P10275 4/20 0.53
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.47
MAPK8 P45983 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6673711 0.82 ALDH1A1 (1.00) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6670041 0.77 ALDH1A1 (0.55) TSHRMEN1KMT2AALDH1A1AR
SCHEMBL3941669 0.75 KDM4E (0.51) TSHRMEN1KMT2AALDH1A1AR
SCHEMBL27616300 0.74 ALDH1A1 (0.52) TSHRMEN1KMT2AALDH1A1AR
SCHEMBL3945272 0.74 ALDH1A1 (0.60) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3937151 0.72 ALDH1A1 (0.50) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL182807 0.72 MAPK8 (0.57) TSHRKMT2AALDH1A1ARTDP1
SCHEMBL3945483 0.72 ALDH1A1 (0.58) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL27352497 0.72 ALDH1A1 (0.56) TSHRALDH1A1ARTDP1SMN1; SMN2
SCHEMBL19284385 0.71 AR (0.51) TSHRMEN1KMT2AALDH1A1AR

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 TSHR 3844/4885MEN1 1751/4885KMT2A 3128/4885

“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.