SCHEMBL15906162

SCHEMBL15906162

COc1ccc(Cn2nnc3ccccc32)cc1-c1cccc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.52
PTK2 Q05397 6/20 0.49
TDP1 Q9NUW8 1/20 0.47
SLC9A1 P19634 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8067208 0.85 GRM2 (0.48) GRM2PTK2TDP1SLC9A1NPC1
SCHEMBL4322252 0.84 PTK2 (0.51) GRM2PTK2
SCHEMBL7599503 0.80 SLC9A1 (0.69) GRM2PTK2TDP1SLC9A1NPC1
SCHEMBL3800690 0.78 HSD17B10 (0.56) GRM2PTK2TDP1SLC9A1NPC1
SCHEMBL16016212 0.76 TDP1 (0.62) GRM2PTK2TDP1SLC9A1NPC1
SCHEMBL15906128 0.74 HTT (0.50) TDP1POLBKDM4E
SCHEMBL22000732 0.73 GRM2 (0.75) GRM2PTK2TDP1SLC9A1NPC1
SCHEMBL15906155 0.72 MAPT (0.46) POLBKDM4E
SCHEMBL15906086 0.72 SMN1; SMN2 (0.45) NPC1RAB9AKDM4E
SCHEMBL15906170 0.72 HTR2C (0.46) NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B GRM2 1314/4885PTK2 1851/4885TDP1 550/4885

“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.