SCHEMBL5482863

SCHEMBL5482863

COc1ccccc1-c1nc2ccsc2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.72
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GUSB P08236 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ FGFR2 P21802 1/20 0.49
▸ SPR P35270 1/20 0.46

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
SCHEMBL28051087 0.80 GUSB (0.61) PDE5ARAB9ASMN1; SMN2GUSBMAPT
SCHEMBL29740691 0.78 GUSB (0.78) RAB9AGUSB
SCHEMBL1084872 0.78 GUSB (0.78) RAB9AGUSB
SCHEMBL29398836 0.76 KDM4E (0.57) PDE5ARAB9ASMN1; SMN2GUSBMAPT
SCHEMBL17786623 0.76 FGFR1 (0.49) PDE5AGUSBFGFR1FGFR2
SCHEMBL259507 0.74 RAB9A (0.59) RAB9ASMN1; SMN2MAPT
Water SCHEMBL31017622 0.74 SMN1; SMN2 (0.58) PDE5ARAB9ASMN1; SMN2MAPTRXFP1
SCHEMBL13789421 0.73 SMN1; SMN2 (0.53) PDE5ARAB9ASMN1; SMN2MAPTRXFP1
SCHEMBL183430 0.73 GUSB (0.59) GUSB
SCHEMBL183953 0.73 GUSB (0.59) PDE5ARAB9AGUSBFGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 — — US disclosed
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 — — US disclosed
US-8883781-B2 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 — — US disclosed
WO-2007146284-A2 THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 — — WO disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 — — US disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 — — US disclosed
US-20070287717-A1 Thienopyrimidines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-12-13 — — 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-20070287717-A1 Thienopyrimidines useful as modulators of ion channels KCNJ1, KCNJ2, TRPV1 PDE5A 1368/4885RAB9A 3260/4885SMN1; SMN2 888/4885

“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.

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