SCHEMBL6863388

SCHEMBL6863388

CC(C)(C)Sc1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PDE7A Q13946 1/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL16657271 0.84 MEN1 (0.52) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL19557713 0.82 MEN1 (0.50) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL6934720 0.82 AOC3 (0.37) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL18353018 0.80 CYP3A4 (0.52) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL11093928 0.79 MAPT (0.46) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL18352947 0.79 ALDH1A1 (0.38) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL19900554 0.77 MEN1 (0.62) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL1567556 0.77 KMT2A (0.50) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL398169 0.76 MAPT (0.54) KMT2AMAPTMEN1NPSR1APOBEC3G
SCHEMBL29549836 0.76 MAPT (0.54) KMT2AMAPTMEN1NPSR1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956960-B Synthetic method of isothiourea catalyst 上海工程技术大学 2021-06-25 CN claimed
CN-109956960-B Synthetic method of isothiourea catalyst 上海工程技术大学 2021-06-25 CN disclosed
CN-109956960-B Synthetic method of isothiourea catalyst 上海工程技术大学 2021-06-25 CN disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-6806378-B2 CATALYST SYSTEM AND A PROCESS FOR THE PREPARATION OF A NONRACEMIC CHIRAL ALCOHOL BY HYDROGENATION OF A KETONE USING THE CATALYST SYSTEM, WHEREIN THE CATALYST SYSTEM COMPRISES RUTHENIUM, A NONRACEMIC CHIRAL DIPHOSPHINE LIGAND, AN DSM N.V. (NL) 2004-10-19 US 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 KMT2A 2489/4885MAPT 592/4885MEN1 3723/4885

“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.