SCHEMBL1045552

SCHEMBL1045552

Fc1ccccc1Cn1n[c]c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
PKM P14618 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PDE5A O76074 1/20 0.37
GRM2 Q14416 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
KCNH2 Q12809 1/20 0.37
ADORA2B P29275 1/20 0.36

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
SCHEMBL1047732 0.79 GRM2 (0.47) POLBMAPTPKMNPC1SMN1; SMN2
SCHEMBL31738660 0.72 ADORA2A (0.55) POLBMAPTATMADORA2AADORA1
SCHEMBL6864690 0.72 ADORA2A (0.55) POLBMAPTATMADORA2AADORA1
SCHEMBL19152217 0.70 L3MBTL1 (0.66) MAPTATMPDE5AADORA3KCNH2
SCHEMBL6865363 0.70 MAPT (0.50) MAPTATMKDM4EPDE5AADORA3
SCHEMBL6762762 0.70 MAPT (0.50) MAPTATMKDM4EPDE5AADORA3
SCHEMBL174998 0.70 MAPT (0.53) MAPTATMPDE5AADORA3KCNH2
SCHEMBL18496415 0.69 PDE5A (0.59) PDE5AADORA3KCNH2
SCHEMBL19126778 0.69 ADORA3 (0.50) MAPTATMKDM4EPDE5AADORA3
SCHEMBL27557135 0.68 PDE5A (0.50) MAPTPDE5AADORA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007521287-A 2007-08-02 JP claimed
EP-1638955-A2 PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2006-03-29 EP claimed
US-20050049247-A1 Pyrimidines useful as modulators of voltage-gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2005-03-03 US claimed
WO-2005003099-A2 PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-13 WO claimed
US-8324220-B2 Pyrimidines useful as modulators of voltage-gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-20110003814-A1 PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-06 US disclosed
US-7816529-B2 Pyrimidines useful as modulators of voltage-gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-19 US disclosed
EP-1638955-A2 PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2006-03-29 EP disclosed
US-20050049247-A1 Pyrimidines useful as modulators of voltage-gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2005-03-03 US disclosed
WO-2005003099-A2 PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-13 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 (2 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-20110003814-A1 PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS KCNJ1, KCNJ11, TRPV1 POLB 1716/4885MAPT 2103/4885ATM 4308/4885
US-20050049247-A1 Pyrimidines useful as modulators of voltage-gated ion channels KCNJ1, KCNJ11, TRPV1 POLB 1716/4885MAPT 2103/4885ATM 4308/4885

“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.