SCHEMBL2214679

SCHEMBL2214679

NC[CH]c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
NPFFR2 Q9Y5X5 2/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PNMT P11086 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PYGL P06737 7/20 0.41
CHAT P28329 1/20 0.40
G6PC1 P35575 1/20 0.39
AHR P35869 1/20 0.39
TP53 P04637 1/20 0.39
IDO1 P14902 2/20 0.38
IGF1R P08069 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
SCHEMBL2213846 0.84 ALDH1A1 (0.56) ALDH1A1NPFFR2KMT2ANPSR1PNMT
SCHEMBL4420128 0.79 ALDH1A1 (0.60) ALDH1A1NPFFR2KMT2ANPSR1PYGL
SCHEMBL28807051 0.77 ALDH1A1 (0.58) ALDH1A1NPFFR2KMT2ANPSR1CYP3A4
SCHEMBL8751349 0.77 ALDH1A1 (0.58) ALDH1A1NPFFR2KMT2ANPSR1PYGL
SCHEMBL14833060 0.75 CHAT (0.47) ALDH1A1NPFFR2KMT2ANPSR1PNMT
SCHEMBL14833059 0.75 CHAT (0.47) ALDH1A1NPFFR2KMT2ANPSR1PNMT
SCHEMBL15156593 0.74 ALDH1A1 (0.53) ALDH1A1NPFFR2KMT2ANPSR1PYGL
SCHEMBL48577 0.73 ALDH1A1 (1.00) ALDH1A1NPFFR2KMT2ANPSR1TSHR
SCHEMBL7410676 0.73 ALDH1A1 (0.58) ALDH1A1NPFFR2KMT2ANPSR1PNMT
SCHEMBL29364412 0.73 ALDH1A1 (1.00) ALDH1A1NPFFR2KMT2ANPSR1TSHR

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-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 US disclosed
EP-1797096-A2 NOVEL PYRAZOLOPYRIMIDINES Altana Pharma AG (DE) 2007-06-20 EP disclosed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 ALDH1A1 1334/4885NPFFR2 2262/4885KMT2A 3645/4885

“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.