SCHEMBL4992983

SCHEMBL4992983

CCCCCCCCc1c(O)nc(SC)nc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 3/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL10366340 0.85 ALDH1A1 (0.41) ALDH1A1ATMKDM4ETHRBLMNA
SCHEMBL14306903 0.81 MAPK1 (0.32)
SCHEMBL4992343 0.81 TLR8 (0.40) GCGRALDH1A1KDM4ELMNAMEN1
SCHEMBL4993123 0.81 GCGR (0.38) GCGRALDH1A1LMNAMEN1KMT2A
SCHEMBL4990413 0.79 GCGR (0.41) GCGRALDH1A1ATMKDM4ETHRB
SCHEMBL22011296 0.72 KDM4E (0.35) ALDH1A1KDM4ETHRBLMNAKMT2A
SCHEMBL12705664 0.70 HSP90AB1 (0.34)
SCHEMBL29172443 0.70 KCNH2 (0.39) ALDH1A1THRBLMNACYP3A4KCNH2
SCHEMBL10366389 0.69 SMN1; SMN2 (0.36) ALDH1A1LMNAMEN1KMT2AKCNH2
SCHEMBL11794001 0.69 KDM4E (0.39) GCGRALDH1A1ATMKDM4ETHRB

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-20080176744-A1 Use of 4-Aminopyrimidines for Controlling Harmful Fungi, Novel 4-Aminopyrimidines, Processes for Their Preparation and Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
EP-1858327-A1 USE OF 4-AMINOPYRIMIDINES FOR THE PREVENTION OF FUNGAL PESTS NOVEL 4-AMINOPYRIMIDINES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-11-28 EP disclosed
WO-2006094994-A1 USE OF 4-AMINOPYRIMIDINES FOR THE PREVENTION OF FUNGAL PESTS NOVEL 4-AMINOPYRIMIDINES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20080176744-A1 Use of 4-Aminopyrimidines for Controlling Harmful Fungi, Novel 4-Aminopyrimidines, Processes for Their Preparation and Compositions Comprising Them RRM2B, CBR3, RRM2 GCGR 2845/4885ALDH1A1 693/4885ATM 2422/4885

“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.