SCHEMBL2213846

SCHEMBL2213846

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
PNMT P11086 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NPFFR2 Q9Y5X5 2/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHAT P28329 1/20 0.43
PYGL P06737 7/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
G6PC1 P35575 1/20 0.38
AHR P35869 1/20 0.37
TP53 P04637 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL2214679 0.84 ALDH1A1 (0.58) ALDH1A1PNMTTAAR1NPFFR2KMT2A
SCHEMBL14833060 0.82 CHAT (0.47) ALDH1A1PNMTTAAR1NPFFR2KMT2A
SCHEMBL14833059 0.82 CHAT (0.47) ALDH1A1PNMTTAAR1NPFFR2KMT2A
SCHEMBL4420128 0.77 ALDH1A1 (0.60) ALDH1A1NPFFR2KMT2ANPSR1CHAT
SCHEMBL4997007 0.77 HSD17B10 (0.48) TAAR1TSHRAHR
SCHEMBL8751349 0.76 ALDH1A1 (0.58) ALDH1A1NPFFR2KMT2ANPSR1CHAT
SCHEMBL28807051 0.76 ALDH1A1 (0.58) ALDH1A1NPFFR2KMT2ANPSR1CHAT
SCHEMBL8099815 0.75 CHAT (0.45) ALDH1A1PNMTTAAR1NPFFR2KMT2A
SCHEMBL16649643 0.72 ALDH1A1 (0.48) ALDH1A1NPFFR2KMT2ANPSR1PYGL
SCHEMBL16649568 0.72 ALDH1A1 (0.48) ALDH1A1NPFFR2KMT2ANPSR1PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 CN disclosed
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 1334/4885PNMT 4460/4885TAAR1 3782/4885

“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.