SCHEMBL6308323

SCHEMBL6308323

CSc1nc(N)nc(CN2CCN(c3ncccn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 4/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL6307171 0.79 GAA (0.50) ALDH1A1MAPK1GAA
SCHEMBL6307060 0.78 ALDH1A1 (0.64) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL6307905 0.76 CYBB (0.58) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL6314302 0.74 HSP90AA1 (0.41) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL6310015 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL6310022 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL6314269 0.69 L3MBTL1 (0.44) ALDH1A1MAPK1TSHRKDM4EMAPT
SCHEMBL1876523 0.66 MEN1 (0.87) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL2633644 0.65 MEN1 (0.54) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8556657 0.65 MEN1 (0.51) ALDH1A1TSHRMEN1KMT2AKDM4E

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 ALDH1A1 399/4885MAPK1 2892/4885TSHR 3699/4885

“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.