SCHEMBL5097742

SCHEMBL5097742

CCCCCCCCCOCCCc1c(CC)nc2cc(C)nn2c1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL5097338 0.95 KDM4E (0.35) DHFRKDM4EGCGRSMN1; SMN2MEN1
SCHEMBL5095285 0.90 GCGR (0.39) DHFRKDM4EGCGRSMN1; SMN2TLR8
SCHEMBL5103686 0.90 GCGR (0.39) DHFRKDM4EGCGRSMN1; SMN2TLR8
SCHEMBL5095251 0.86 KDM4E (0.39) KDM4ESMN1; SMN2MEN1NPC1TP53
SCHEMBL4910627 0.83 KDM4E (0.40) DHFRKDM4ESMN1; SMN2TLR8MEN1
SCHEMBL4918063 0.83 KDM4E (0.40) DHFRKDM4ESMN1; SMN2TLR8MEN1
SCHEMBL4923190 0.83 KDM4E (0.40) DHFRKDM4ESMN1; SMN2TLR8MEN1
SCHEMBL4918451 0.83 KDM4E (0.40) DHFRKDM4ESMN1; SMN2TLR8MEN1
SCHEMBL4913865 0.83 KDM4E (0.40) DHFRKDM4ESMN1; SMN2TLR8MEN1
SCHEMBL4918926 0.83 KDM4E (0.40) DHFRKDM4ESMN1; SMN2TLR8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds BASF AKTINGESELLSCHAFT (DE) 2008-08-28 — — US claimed
EP-1856118-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 — — EP claimed
WO-2006092411-A1 5,6-DIALKYL-7-AMINO-AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND SUBSTANCES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 — — WO claimed

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-20080207455-A1 5,6-Dialkyl-7-Aminoazolopyrimidines, Their Preparation and Their Use for Controlling Harmful Fungi, and Compositions Comprising These Compounds CBX7, ERG28, HDHD5 DHFR 1097/4885KDM4E 560/4885GCGR 4145/4885

“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.

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