SCHEMBL17025296

SCHEMBL17025296

O[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.68
NOTUM Q6P988 5/20 0.63
DPP4 P27487 1/20 0.51
ADRB1 P08588 1/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
WDR91 A4D1P6 1/20 0.43
ABL1 P00519 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6694923 0.89 NOTUM (0.58) ARNOTUMDPP4ADRB1MAPT
SCHEMBL2940353 0.87 AR (0.61) ARNOTUMDPP4CDK1CDK2
SCHEMBL22507508 0.85 NOTUM (0.53) ARNOTUMDPP4ADRB1MAPT
SCHEMBL31320005 0.85 AR (0.59) ARNOTUMCDK1CDK2WDR91
SCHEMBL13651349 0.82 AR (1.00) ARNOTUM
SCHEMBL1409621 0.82 NOTUM (0.68) ARNOTUMDPP4MAPT
SCHEMBL13651213 0.82 AR (1.00) ARNOTUM
SCHEMBL9106437 0.80 NOTUM (0.60) ARNOTUMADRB1MAPTSMN1; SMN2
SCHEMBL16695637 0.80 NOTUM (0.60) ARNOTUMADRB1MAPTSMN1; SMN2
SCHEMBL14275554 0.79 NOTUM (0.59) ARNOTUMDPP4ADRB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 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-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 AR 83/4885NOTUM 4577/4885DPP4 790/4885

“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.