SCHEMBL6308808

SCHEMBL6308808

Clc1ccc(CNc2ncncn2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR39 O43194 1/20 0.46
SLC2A1 P11166 1/20 0.45
LMNA P02545 2/20 0.45
EPHX2 P34913 1/20 0.45
TSHR P16473 1/20 0.44
IDO1 P14902 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL6315303 0.80 CYP1A2 (0.51) MAPTTDP1LMNATSHRMAPK1
SCHEMBL10677205 0.78 MAPT (0.51) MAPTTDP1LMNAEPHX2TSHR
SCHEMBL16995668 0.76 MAPT (0.49) MAPTTDP1GPR39SLC2A1LMNA
SCHEMBL11510338 0.74 MAPT (0.57) MAPTTDP1LMNAIDO1HTT
SCHEMBL14656662 0.73 HTT (0.65) MAPTLMNATSHRIDO1HTT
SCHEMBL29580189 0.72 POLB (0.69) MAPTGPR39SLC2A1LMNATSHR
SCHEMBL31478745 0.71 MAPT (0.60) MAPTTDP1LMNATSHRIDO1
SCHEMBL19197930 0.71 MEN1 (0.53) MAPTTDP1LMNAALDH1A1KMT2A
SCHEMBL30520433 0.71 MEN1 (0.53) MAPTTDP1LMNAALDH1A1KMT2A
SCHEMBL11512272 0.70 MAPT (0.56) MAPTTDP1LMNAIDO1HTT

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 MAPT 4100/4885TDP1 1481/4885GPR39 2014/4885

“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.