SCHEMBL5634320

SCHEMBL5634320

CCOC(OCC)c1cc(-n2ccnc2)nc(NC(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
IDH1 O75874 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
CD38 P28907 4/20 0.33
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL5634316 0.80 TSHR (0.40) TSHRNPC1HSD17B10MAPK1MEN1
SCHEMBL16370253 0.69 TSHR (0.72) TSHRNPC1HSD17B10MAPK1MEN1
SCHEMBL14603059 0.63 TSHR (0.39) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL5635644 0.63 TSHR (0.39) TSHRNPC1HSD17B10MAPK1KMT2A
SCHEMBL13550020 0.61 ABL1 (0.46) MAPK1CYP1A2
SCHEMBL23572997 0.60 HRH4 (0.47) HSD17B10MAPK1CYP1A2HRH4LOXL2
SCHEMBL20815982 0.59 CYP11B1 (0.57) TSHRHSD17B10MAPK1KMT2ACYP1A2
SCHEMBL17250004 0.59 CYP3A4 (0.50) TSHRHSD17B10CYP1A2HRH4ALDH1A1
SCHEMBL18855229 0.59 LOXL2 (0.37) HSD17B10MAPK1CYP1A2HRH4CD38
SCHEMBL19185287 0.59 LOXL2 (0.40) TSHRHSD17B10MAPK1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157580-B2 Aminopyrimidine and aminopyridine anti-inflammation agents ROCHE PALO ALTO LLC (US) 2007-01-02 US disclosed
US-20050107403-A1 Aminopyrimidine and aminopyridine anti-inflammation agents HAWLEY RONALD C (US) 2005-05-19 US disclosed
US-6846828-B2 Aminopyrimidine and aminopyridine anti-inflammation agents ROCHE PALO ALTO LLC (US) 2005-01-25 US disclosed
EP-1444223-A1 AMINOPYRIMIDINES AND -PYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20030144303-A1 Aminopyrimidine and aminopyridine anti-inflammation agents SYNTEX (U.S.A.) LLC 2003-07-31 US disclosed
WO-2003040131-A1 AMINOPYRIMIDINES AND PYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-15 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 (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-20050107403-A1 Aminopyrimidine and aminopyridine anti-inflammation agents IL6, DPYD, TYMP TSHR 4730/4885NPC1 4212/4885HSD17B10 3494/4885
US-20030144303-A1 Aminopyrimidine and aminopyridine anti-inflammation agents IL6, DPYD, TYMP TSHR 4733/4885NPC1 4028/4885HSD17B10 3364/4885

“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.