SCHEMBL14805804

SCHEMBL14805804

Cn1cnc2cc(OC(C)(C)C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
GAA P10253 5/20 0.51
HPGD P15428 3/20 0.51
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GRM5 P41594 1/20 0.45
FGFR1 P11362 3/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL14805907 0.87 DYRK1A (0.45) KMT2AGAAHPGDDDB1CRBN
SCHEMBL30914192 0.87 KMT2A (0.56) KMT2AGAAHPGDDDB1CRBN
SCHEMBL230452 0.81 FGFR1 (0.59) KMT2AGAAHPGDDDB1CRBN
SCHEMBL18034957 0.79 KMT2A (0.55) KMT2AGAAHPGDDDB1CRBN
SCHEMBL14805643 0.75 GRM5 (0.50) KMT2AGAAHPGDDDB1CRBN
SCHEMBL24569506 0.74 FGFR1 (0.54) KMT2AGAAHPGDDDB1CRBN
SCHEMBL3934053 0.74 KMT2A (0.72) KMT2AGAAHPGDDDB1CRBN
SCHEMBL762008 0.74 GRM5 (0.49) KMT2AGAAHPGDKDM4EALDH1A1
SCHEMBL21187436 0.73 KMT2A (0.49) KMT2AGAAHPGDDDB1CRBN
SCHEMBL19510071 0.72 SHMT2 (0.46) KMT2AGAAHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 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 (2 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KMT2A 2823/4885GAA 1078/4885HPGD 1233/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KMT2A 2823/4885GAA 1078/4885HPGD 1233/4885

“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.