SCHEMBL4914020

SCHEMBL4914020

CN(C)c1nc2oc3c(Cl)ncnc3c2c2c1COC(C)(C)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
HKDC1 Q2TB90 6/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 5/20 0.48
MAPK1 P28482 4/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 7/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.47
OPRK1 P41145 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4922646 0.85 ALDH1A1 (0.56) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4709157 0.81 KDM4E (0.75) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4709819 0.78 PDE4B (0.69) ALDH1A1HKDC1TSHRCYP2C9CYP2C19
SCHEMBL4710435 0.74 PDE4B (0.82) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4921409 0.74 ALDH1A1 (0.57) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4922975 0.68 KDM4E (0.64) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4925674 0.67 ALDH1A1 (0.50) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL5054674 0.66 POLB (0.54) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL5011383 0.63 ALDH1A1 (0.75) ALDH1A1TSHRMEN1KMT2ACYP2C9
SCHEMBL4927782 0.63 PDE4B (0.69) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2008-09-11 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-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives NR1H2, CBR3, NR4A1 ALDH1A1 2625/4885HKDC1 2913/4885TSHR 191/4885

“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.