SCHEMBL4476960

SCHEMBL4476960

CCOC(=O)c1cc(C(=O)c2sc(NC(=O)c3ccccc3C)c(C#N)c2N)on1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.62
MAPT P10636 9/20 0.49
ALDH1A1 P00352 8/20 0.49
HPGD P15428 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
MELK Q14680 1/20 0.43
TP53 P04637 2/20 0.42
ACR P10323 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL13708282 0.86 BRAF (0.61) BRAFMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4477072 0.80 MAPK1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4489057 0.80 MELK (0.45) BRAFALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4461289 0.79 BRAF (0.53) BRAFMAPTALDH1A1HPGDHTT
SCHEMBL4478646 0.79 CFTR (0.51) BRAFMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4478561 0.77 L3MBTL1 (0.41) BRAFMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4477192 0.76 BRAF (0.54) BRAFMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4478634 0.76 MELK (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4496773 0.74 KMT2A (0.48) BRAFMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4473949 0.70 MELK (0.50) MAPTALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A BRAF 1936/4885MAPT 3524/4885ALDH1A1 802/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A BRAF 1936/4885MAPT 3524/4885ALDH1A1 802/4885

“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.