SCHEMBL15037240

SCHEMBL15037240

CCOC(=O)C1CCCN(c2ccnc(NN)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.53
ALK Q9UM73 9/20 0.50
ALDH1A1 P00352 3/20 0.50
IGF1R P08069 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
S100A4 P26447 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL1089733 0.89 CXCR4 (0.56) SHMT2ALKALDH1A1IGF1RSMN1; SMN2
SCHEMBL29438256 0.86 SHMT2 (0.49) SHMT2ALKALDH1A1IGF1RSMN1; SMN2
SCHEMBL23582477 0.86 SHMT2 (0.58) SHMT2ALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL29913989 0.86 SHMT2 (0.58) SHMT2ALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL23582563 0.86 SHMT2 (0.58) SHMT2ALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL2635948 0.84 ALDH1A1 (0.54) SHMT2ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL29438234 0.84 ALDH1A1 (0.54) SHMT2ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL12185358 0.84 ALDH1A1 (0.54) SHMT2ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL12184979 0.83 ALK (0.51) ALKALDH1A1IGF1RMEN1KMT2A
SCHEMBL12185364 0.81 ALK (0.56) ALKIGF1RSMN1; SMN2JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 US 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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS SHMT2 1136/4885ALK 53/4885ALDH1A1 725/4885

“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.