SCHEMBL9944376

SCHEMBL9944376

CC(C)OC(=O)c1ccc2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
MGAM O43451 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CNR2 P34972 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL28693197 0.84 KMT2A (0.63) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL725183 0.81 MGAM (0.61) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL30208641 0.81 MGAM (0.61) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL3954441 0.80 MGAM (0.66) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL5159809 0.80 ALDH1A1 (0.51) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL11814204 0.80 KMT2A (0.61) KMT2AMGAMMEN1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL16793838 0.79 MGAM (0.59) KMT2AMGAMHDAC8RAB9AMEN1
Hydrochloric Acid SCHEMBL30615167 0.79 MGAM (0.59) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL5176927 0.79 MGAM (0.63) KMT2AMGAMHDAC8RAB9AMEN1
SCHEMBL6955948 0.79 MGAM (0.63) KMT2AMGAMHDAC8RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105121444-B Cyano ethyl Pyrazolopyridine ketone as the other than ring type of JANUS kinase inhibitors 默沙东公司 2018-02-16 CN claimed
CN-105263924-B Cxcr7 receptor modulators 爱杜西亚制药有限公司 2018-10-19 CN disclosed
CN-105121444-B Cyano ethyl Pyrazolopyridine ketone as the other than ring type of JANUS kinase inhibitors 默沙东公司 2018-02-16 CN disclosed
US-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 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-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 KMT2A 3398/4885MGAM 4104/4885HDAC8 3233/4885

“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.