SCHEMBL4651014

SCHEMBL4651014

CCOC(=O)Cc1nnn(C(C)(C)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
ATM Q13315 1/20 0.51
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7281705 0.89 HSD17B10 (0.52) HSD17B10PKMATMRECQLALDH1A1
SCHEMBL3294672 0.84 POLB (0.41) SMN1; SMN2POLBKMT2AMAPT
SCHEMBL418509 0.83 POLB (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1778907 0.81 HSD17B10 (0.61) HSD17B10PKMATMRECQLALDH1A1
SCHEMBL15247692 0.81 ATM (0.34) HSD17B10PKMATMALDH1A1SMN1; SMN2
SCHEMBL4852197 0.76 HPGD (0.62) HSD17B10PKMATMRECQLALDH1A1
SCHEMBL4651093 0.76 TSHR (0.37) ALDH1A1SMN1; SMN2TSHRPOLBHTT
SCHEMBL3295866 0.73 POLB (0.35) SMN1; SMN2POLB
SCHEMBL7053350 0.73 HSD17B10 (0.52) HSD17B10PKMATMRECQLALDH1A1
SCHEMBL7053357 0.71 PKM (0.59) HSD17B10PKMATMRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301474-B1 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2008-09-10 EP disclosed
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US disclosed
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO 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-20020040003-A1 Preparation of phosphatase inhibitors PTPRS, PTPRO, PTPRR HSD17B10 1935/4885PKM 2224/4885ATM 2481/4885

“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.