SCHEMBL16995679

SCHEMBL16995679

COc1ccc(Sc2cccc(Cl)c2CNc2nnc(N)[nH]2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.43
LCK P06239 2/20 0.40
BTK Q06187 2/20 0.40
EIF2AK1 Q9BQI3 6/20 0.40
TYMS P04818 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
SMOX Q9NWM0 1/20 0.34
PTGER3 P43115 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 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
SCHEMBL18353507 0.92 EIF2AK1 (0.37) DHFRLCKBTKEIF2AK1TYMS
SCHEMBL16995717 0.92 EIF2AK1 (0.37) DHFRLCKBTKEIF2AK1TYMS
SCHEMBL18353603 0.89 LCK (0.41) DHFRLCKBTKEIF2AK1TYMS
SCHEMBL16995672 0.83 POLB (0.42) DHFRLCKBTKTYMSCYP3A4
SCHEMBL18353612 0.83 EIF2AK1 (0.39) LCKBTKEIF2AK1LMNAGAA
SCHEMBL16995673 0.79 L3MBTL1 (0.42) LCKBTKEIF2AK1CYP1A2CYP3A4
SCHEMBL16995661 0.76 KDM1A (0.48) LCKBTKEIF2AK1KDM1ARCOR1
SCHEMBL16995681 0.75 KDM1A (0.50) LCKBTKSMN1; SMN2KDM1ARCOR1
SCHEMBL16995690 0.73 KDM1A (0.50) KDM1ARCOR1SMOXKMT2ALMNA
SCHEMBL16995718 0.72 KDM1A (0.32) KDM1ARCOR1SMOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 US disclosed
WO-2015120281-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-08-13 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-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS KDM1A, KDM1B, KDM3A DHFR 415/4885LCK 761/4885BTK 2132/4885

“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.