SCHEMBL1459657

SCHEMBL1459657

O=C1Cc2cc(-c3nccs3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.60
PDE3A Q14432 1/20 0.60
CYP1A2 P05177 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PGR P06401 4/20 0.49
GRIA1 P42261 4/20 0.49
CACNG8 Q8WXS5 2/20 0.49
AHR P35869 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CRBN Q96SW2 1/20 0.44
PDK2 Q15119 1/20 0.44
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42

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
SCHEMBL6743639 0.90 AHR (0.47) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16137427 0.76 PDE3B (0.51) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL23143482 0.75 PDE3B (1.00) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL13680630 0.75 PDE3B (0.57) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL28429341 0.75 DRD2 (0.45) CHEK1
Hydrochloric Acid SCHEMBL18641453 0.74 PDE3B (0.49) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL4062478 0.74 PDE3B (0.59) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL16047379 0.73 CYP1A2 (0.56) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL23143522 0.72 PDE3B (0.70) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL29899630 0.72 PDE3B (0.70) PDE3BPDE3ACYP1A2CYP11B1CYP11B2

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-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
WO-1997013767-A1 HETEROCYCLICALLY-SUBSTITUTED 1-INDOLE CARBOXAMIDES AS CYCLO-OXYGENASE-2 INHIBITORS CHEMISCH PHARMAZEUTISCHE FORSCHUNGSGESELLSCHAFT MBH (AT) 1997-04-17 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E PDE3B 506/4885PDE3A 532/4885CYP1A2 1233/4885

“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.