SCHEMBL2882414

SCHEMBL2882414

COc1cccc(-c2ccc(-c3cc4c(Br)cnn4c(S(C)(=O)=O)n3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
PLAU P00749 2/20 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
SCHEMBL2877008 0.90 KDM4E (0.43) ALDH1A1HPGDKDM4EGAAPTGS2
SCHEMBL2877011 0.81 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAACYP3A4
SCHEMBL2881754 0.81 MAPT (0.39) ALDH1A1HPGDKDM4EGAACYP3A4
SCHEMBL2882294 0.80 FYN (0.48) ALDH1A1HPGDKDM4EGAACA2
SCHEMBL2214323 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAACYP3A4
SCHEMBL2212325 0.71 JAK2 (0.41) KDM4EHSD17B10KMT2AMAPTHTT
SCHEMBL2209412 0.71 ABL1 (0.41) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL2882168 0.70 RAB9A (0.43) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL25417436 0.69 KDR (0.49) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL2881702 0.69 KDM4E (0.45) ALDH1A1HPGDKDM4EGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1334/4885HPGD 788/4885KDM4E 3784/4885

“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.