SCHEMBL2213701

SCHEMBL2213701

CSc1nc(-c2cccc(Br)c2)cc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.44
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HCRTR1 O43613 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
CDK1 P06493 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GRM5 P41594 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
SCHEMBL2212656 0.85 SMN1; SMN2 (0.35) CDK2RAB9ANPC1MAPTALDH1A1
SCHEMBL2213284 0.85 NPC1 (0.38) RAB9ANPC1TP53MAPTALDH1A1
SCHEMBL2212035 0.82 SMN1; SMN2 (0.39) CDK2RAB9ANPC1MAPTALDH1A1
SCHEMBL2214089 0.79 MAPT (0.44) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL2213858 0.77 CDK2 (0.42) CDK2RAB9ANPC1HCRTR1CASP3
SCHEMBL2214144 0.77
SCHEMBL2215466 0.77 MAPT (0.41) RAB9ANPC1TP53MAPTALDH1A1
SCHEMBL2212151 0.76 GSK3B (0.36) CDK2RAB9ANPC1MAPTALDH1A1
SCHEMBL2880093 0.76 RAD52 (0.48) RAB9ANPC1TP53MAPTALDH1A1
SCHEMBL2214535 0.74 MAPT (0.45) RAB9ANPC1CASP3SENP8SENP7

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 CDK2 8/4885RAB9A 3213/4885NPC1 3449/4885

“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.