SCHEMBL13051118

SCHEMBL13051118

O=S(=O)(c1ccccc1)n1cc(Br)c2ccncc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.52
PDPK1 O15530 1/20 0.48
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MET P08581 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL30974768 0.89 HTR6 (0.59) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL29247367 0.89 HTR6 (0.59) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL12450003 0.86 HTR6 (0.51) HTR6PDPK1CA1CA2CA9
SCHEMBL254249 0.83 HTR6 (0.52) HTR6PDPK1HTR1ADRD2HTR2A
SCHEMBL457741 0.83 CA2 (0.47) HTR6PDPK1CA12CA1CA2
SCHEMBL29651100 0.82 HTR6 (0.64) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL1996382 0.82 HTR6 (0.64) HTR6AKR1C3AKR1C1HTR1ADRD2
SCHEMBL2216316 0.78 HTR6 (0.51) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1895249 0.75 HTR6 (0.61) HTR6CA1CA2CA9
SCHEMBL30295250 0.75 HTR6 (0.61) HTR6CA1CA2CA9

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
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
US-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-18 US disclosed
WO-2009092431-A1 4-(PYRROLO[2,3-C]PYRIDINE-3-YL)-PYRIMIDINE-2-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2009-07-30 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-20100292262-A1 4 (PYRROLO[2,3-C]PYRIDINE-3-YL)PYRIMIDIN-2-AMINE DERIVATIVES MKI67, CDK4, CCNT1 HTR6 2359/4885PDPK1 330/4885AKR1C3 1753/4885

“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.