SCHEMBL17322868

SCHEMBL17322868

COC(=O)Cn1nc(-c2cccc(C)c2C)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ HPGD P15428 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 4/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL15631845 0.91 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17322866 0.88 KDM4E (0.63) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17322880 0.86 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL15631862 0.84 KDM4E (0.70) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17322837 0.83 KDM4E (0.69) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17322839 0.83 KDM4E (0.69) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL15631848 0.83 KDM4E (0.69) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17322836 0.83 LMNA (0.59) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17326650 0.83 KDM4E (0.56) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17322846 0.82 KDM4E (0.65) KDM4EKMT2ASMN1; SMN2LMNAALDH1A1

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-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 — — US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 — — 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-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF CYP11B1, HSP90B1, CYP1B1 KDM4E 4525/4885KMT2A 4742/4885SMN1; SMN2 4794/4885

“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.

Send feedback