SCHEMBL2213844

SCHEMBL2213844

NCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(-c5ccc(F)cc5)cc4)cc4ccnn34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
PTPN11 Q06124 2/20 0.42
PTPN6 P29350 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
HTR2C P28335 3/20 0.41
MCHR1 Q99705 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APEX1 P27695 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL2215297 0.93 PTPN1 (0.45) PTPN1PTPN11PTPN6MAPTSMN1; SMN2
SCHEMBL2215396 0.90 NPC1 (0.39) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL2214363 0.86 HDAC1 (0.42) PTPN1PTPN11PTPN6SMN1; SMN2TP53
SCHEMBL2214475 0.86 JAK2 (0.43) MAPTMEN1KMT2ATDP1RXFP1
SCHEMBL2213349 0.86 PLAU (0.48) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2253893 0.85 PLG (0.44) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL2211981 0.85 HDAC1 (0.45) PTPN1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2212052 0.84 NAMPT (0.40) PTPN1PTPN11PTPN6MAPTSMN1; SMN2
SCHEMBL2215236 0.84 HDAC1 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2215216 0.83 PLAU (0.41) MAPTTP53MEN1KMT2APOLB

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 3 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

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 PTPN1 2322/4885PTPN11 2777/4885PTPN6 2377/4885

“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.