SCHEMBL5368549

SCHEMBL5368549

COc1cccc(-c2noc3ncccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TP53 P04637 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
GRM5 P41594 1/20 0.48
KCNA5 P22460 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADORA2A P29274 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL1383590 0.80 DNM1 (0.47) TP53HPGDMAPTALDH1A1
SCHEMBL5364494 0.79 TP53 (0.52) TP53HPGDHTTNPC1RAB9A
SCHEMBL5364504 0.79 TP53 (0.52) TP53HPGDHTTNPC1RAB9A
SCHEMBL5370990 0.78 PIK3CD (0.47) CLK4CYP3A4CYP2C9PIK3CA
SCHEMBL6830740 0.74 CLK4 (0.55) DYRK1ACLK4KCNA5CYP1A2CYP3A4
SCHEMBL7489628 0.74 NPC1 (0.51) DYRK1ACLK4TP53HPGDHTT
SCHEMBL10094648 0.73 DYRK1A (0.62) DYRK1ACLK4HPGDNPC1RAB9A
SCHEMBL28824499 0.73 CLK4 (0.62) DYRK1ACLK4HPGDNPC1RAB9A
SCHEMBL16047508 0.72 KCNA5 (0.62) DYRK1ACLK4HPGDKCNA5CYP1A2
SCHEMBL10679884 0.72 TP53 (0.49) DYRK1ACLK4TP53HPGDHTT

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
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 DYRK1A 169/4885CLK4 2034/4885TP53 3926/4885

“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.