SCHEMBL15906152

SCHEMBL15906152

COc1ccc(C)nc1-c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CTSA P10619 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46
SYK P43405 4/20 0.45
AURKB Q96GD4 3/20 0.45
INCENP Q9NQS7 3/20 0.45
IDO1 P14902 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
SCHEMBL3787844 0.84 PDE4B (0.59) NPC1TSHRSMN1; SMN2CTSAMEN1
SCHEMBL11996295 0.80 SYK (0.40) CTSASYKAURKBINCENPADORA1
SCHEMBL3785840 0.80 PDE4B (0.59) HSD17B10KDM4ESMN1; SMN2CTSAALDH1A1
SCHEMBL8028328 0.80 PDE4B (0.41) CTSATP53SYKAURKBINCENP
SCHEMBL15906102 0.80 PDE4B (0.49) HSD17B10KDM4ENPC1TSHRRAB9A
SCHEMBL15906187 0.80 PDE4B (0.49) HSD17B10KDM4ENPC1TSHRRAB9A
SCHEMBL15906181 0.80 PDE4B (0.49) HSD17B10KDM4ENPC1TSHRRAB9A
SCHEMBL3902530 0.79 SRC (0.54)
SCHEMBL13299572 0.79 RAB9A (0.50) KDM4ENPC1TSHRRAB9ASMN1; SMN2
SCHEMBL3466191 0.78 PDE4D (0.63) RAB9AALDH1A1MEN1KMT2AADORA1

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-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
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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 (3 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B HSD17B10 422/4885KDM4E 548/4885NPC1 3765/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HSD17B10 451/4885KDM4E 487/4885NPC1 2654/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B HSD17B10 422/4885KDM4E 548/4885NPC1 3765/4885

“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.