SCHEMBL6360335

SCHEMBL6360335

[2H]C([2H])([2H])n1nc(CCC)cc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.36
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4D Q08499 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL859 0.90 POLB (0.50) POLBLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8055438 0.82 POLB (0.42) POLBLMNAKDM4EKMT2AHSD17B10
SCHEMBL1299 0.81 SMN1; SMN2 (0.45) POLBSMN1; SMN2RAB9AMAPTTSHR
SCHEMBL20503314 0.79 LMNA (0.44) POLBLMNASMN1; SMN2NPC1RAB9A
SCHEMBL6630242 0.78 POLB (0.36) POLBLMNASMN1; SMN2MAPTTSHR
SCHEMBL973113 0.77 LMNA (0.50) POLBLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8043219 0.77 TSHR (0.41) POLBLMNASMN1; SMN2MAPTKDM4E
SCHEMBL6713457 0.76 LMNA (0.44) POLBLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4787730 0.76 POLB (0.51) POLBLMNASMN1; SMN2NPC1RAB9A
SCHEMBL7699075 0.76 LMNA (0.49) POLBLMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use CONCERT PHARMACEUTICALS INC. (US) 2009-08-06 US disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20050069276-A1 Deuterated pyrazolopyrimidinones and drugs containing said compounds BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) 2005-03-31 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 (4 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-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE PDE5A, PDE3A, PDE3B POLB 700/4885LMNA 3008/4885SMN1; SMN2 2426/4885
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use PDE5A, PDE3A, PDE3B POLB 700/4885LMNA 3008/4885SMN1; SMN2 2426/4885
US-20050069276-A1 Deuterated pyrazolopyrimidinones and drugs containing said compounds CHRM3, MPL, PFKP POLB 3458/4885LMNA 3278/4885SMN1; SMN2 894/4885
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A POLB 1336/4885LMNA 2826/4885SMN1; SMN2 1886/4885

“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.