SCHEMBL6307209

SCHEMBL6307209

CSc1nc(N)nc(C(C)(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.54
HSP90AA1 P07900 7/20 0.43
HRH4 Q9H3N8 1/20 0.41
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
ABCB1 P08183 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL5864484 0.83 HSP90AB1 (0.50) HSP90AB1HSP90AA1POLB
SCHEMBL5864575 0.83 HSP90AB1 (0.50) HSP90AB1HSP90AA1POLB
SCHEMBL9350626 0.81 HSP90AB1 (0.52) HSP90AB1HSP90AA1POLBABCB1ADORA2A
SCHEMBL5864553 0.81 HSP90AB1 (0.52) HSP90AB1HSP90AA1POLBKDM4EMAPT
SCHEMBL23523689 0.80 HSP90AB1 (0.47) HSP90AB1HSP90AA1POLBADORA2AADORA1
SCHEMBL28120669 0.78 HRH4 (0.50) HSP90AB1HSP90AA1HRH4KDM4EGAA
SCHEMBL20198717 0.78 HRH4 (0.50) HSP90AB1HSP90AA1HRH4KDM4EGAA
SCHEMBL8071682 0.78 HSP90AB1 (0.71) HSP90AB1HSP90AA1POLBABCB1ADORA2A
SCHEMBL3631158 0.78 HSP90AB1 (0.71) HSP90AB1HSP90AA1POLBKDM4EGAA
SCHEMBL27349521 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11388901-B2 Herbicidal azines BASF SE (DE) 2022-07-19 US disclosed
US-20210112811-A1 HERBICIDAL AZINES BASF SE (DE) 2021-04-22 US disclosed
US-20210112811-A1 HERBICIDAL AZINES BASF SE (DE) 2021-04-22 US disclosed
CN-110325529-A HERBICIDAL AZINES 巴斯夫欧洲公司 2019-10-11 CN disclosed
WO-2018166822-A1 HERBICIDAL AZINES BASF SE (DE) 2018-09-20 WO disclosed
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 (3 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-11388901-B2 Herbicidal azines DDT, AOC1, AZI2 HSP90AB1 1366/4885HSP90AA1 1252/4885HRH4 919/4885
US-20210112811-A1 HERBICIDAL AZINES DDT, AOC1, AZI2 HSP90AB1 1366/4885HSP90AA1 1252/4885HRH4 919/4885
US-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 HSP90AB1 1191/4885HSP90AA1 1676/4885HRH4 4305/4885

“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.