SCHEMBL2848852

SCHEMBL2848852

COc1ccc(Cl)c(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
NPC1 O15118 2/20 0.45
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 2/20 0.40
CYP3A4 P08684 2/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
G6PD P11413 1/20 0.40
S1PR1 P21453 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 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
SCHEMBL6776267 0.86 ALDH1A1 (0.42) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL1014275 0.84 ALDH1A1 (0.50) GAANPC1ALDH1A1MAPTMAPK1
SCHEMBL1710455 0.84 ALDH1A1 (0.50) GAANPC1ALDH1A1MAPTMAPK1
SCHEMBL10949613 0.84 HTR2A (0.46) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL374322 0.84 GAA (0.43) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL6777378 0.82 TUBB4A (0.45) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL28130643 0.82 TUBB4A (0.45) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL11257446 0.82 ALDH1A1 (0.42) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL6736267 0.80 HTR2A (0.44) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL27285656 0.80 MAPT (0.44) GAANPC1DYRK1AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A GAA 3088/4885NPC1 1612/4885DYRK1A 2343/4885

“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.