SCHEMBL2215396

SCHEMBL2215396

NCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(Br)cc4)cc4ccnn34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TRPV1 Q8NER1 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CYP1A2 P05177 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
SCHEMBL2213844 0.90 PTPN1 (0.43) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2214475 0.85 JAK2 (0.43) MEN1KMT2ACYP2C19MAPTPOLB
SCHEMBL2213349 0.85 PLAU (0.48) NPC1MEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL2253893 0.84 PLG (0.44) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL2214171 0.84 NAMPT (0.40) ABCB1ABCG2
SCHEMBL2215216 0.84 PLAU (0.41) MEN1KMT2ATRPV1MAPTTP53
SCHEMBL2211981 0.84 HDAC1 (0.45) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL2215297 0.83 PTPN1 (0.45) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2879548 0.82 KDR (0.43) NPC1SMN1; SMN2POLBRAB9A
SCHEMBL2215236 0.81 HDAC1 (0.41) MEN1KMT2ACYP3A4SMN1; SMN2MAPT

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 NPC1 3449/4885MEN1 3137/4885KMT2A 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.