SCHEMBL6315303

SCHEMBL6315303

COc1ccc(CNc2ncncn2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.51
CYP3A4 P08684 12/20 0.51
CYP2C19 P33261 12/20 0.51
CYP2D6 P10635 11/20 0.51
TSHR P16473 9/20 0.51
ALDH1A1 P00352 6/20 0.51
CYP2C9 P11712 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HIF1A Q16665 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CLK4 Q9HAZ1 5/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A4 P31645 3/20 0.44
HTR2A P28223 2/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 3/20 0.43

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
SCHEMBL6308808 0.80 MAPT (0.49) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL13887881 0.76 SLC6A4 (0.68) CYP2D6SLC6A4HTR2AKCNH2APLNR
SCHEMBL5436698 0.76 HIF1A (0.56) HIF1AMEN1KMT2ASLC6A4HTR2A
SCHEMBL4510419 0.70 ALDH1A1 (0.53) CYP1A2ALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL8340513 0.70 SLC6A4 (0.47) ALDH1A1HSD17B10TDP1SLC6A4HTR2A
SCHEMBL9096862 0.70 SLC6A4 (0.46) ALDH1A1TDP1MEN1KMT2ASLC6A4
SCHEMBL319266 0.70 APLNR (0.63) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL9096859 0.69 CYP1A2 (0.52) CYP1A2CYP2C19CYP2D6MEN1KMT2A
SCHEMBL5753110 0.69 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1MEN1KMT2A
SCHEMBL5975064 0.69 IDO1 (0.55) ALDH1A1MEN1KMT2ASLC6A4HTR2A

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-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1341773-A2 SUBSTITUTED 1,3,5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-09-10 EP disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 US disclosed
WO-2002046172-A2 SUBSTITUTED 1, 3, 5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 CYP1A2 947/4885CYP3A4 1597/4885CYP2C19 2695/4885

“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.