SCHEMBL2178833

SCHEMBL2178833

CCCC[Sn](CCCC)(CCCC)c1ccc(CC)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.38
KDM4E B2RXH2 4/20 0.38
NFKB1 P19838 5/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 8/20 0.34
SMN1; SMN2 Q16637 7/20 0.34

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
SCHEMBL22748284 0.85 RAB9A (0.49) L3MBTL1KDM4ENFKB1MAPTCYP1A2
SCHEMBL30526653 0.82 MAPT (0.32) L3MBTL1KDM4ENFKB1MAPTCYP1A2
SCHEMBL2455484 0.81 CASP3 (0.39) L3MBTL1KDM4ENFKB1MAPTCYP1A2
SCHEMBL502805 0.80 KDM4E (0.41) KDM4ENFKB1MAPTALDH1A1RAB9A
SCHEMBL31577769 0.80 KDM4E (0.41) KDM4ENFKB1MAPTALDH1A1RAB9A
SCHEMBL19207125 0.79 HTR7 (0.33) CYP1A2RAB9ANPC1
SCHEMBL15561443 0.79 RAB9A (0.42) L3MBTL1KDM4ENFKB1CYP1A2ALDH1A1
SCHEMBL31387537 0.79 HTR7 (0.33) CYP1A2RAB9ANPC1
SCHEMBL29687009 0.79 NPC1 (0.41) L3MBTL1NFKB1MAPTCYP1A2ALDH1A1
SCHEMBL4732181 0.79 KDM4E (0.39) KDM4EMAPTCYP1A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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 (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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP L3MBTL1 3203/4885KDM4E 2555/4885NFKB1 344/4885

“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.