SCHEMBL6070080

SCHEMBL6070080

COC(=O)c1ccccc1Nc1cccc2c1c(C=Cc1cc(C)ccn1)nn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ATR Q13535 1/20 0.35
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL6069803 0.92 MAPK8 (0.36) HPGDATRKMT2AMEN1RET
SCHEMBL5208752 0.87 KDM4E (0.39) KDM4EGLASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6069989 0.80 RET (0.40) ATRGAARET
SCHEMBL5205099 0.79 KDR (0.38) ATR
SCHEMBL6069994 0.77 RET (0.35) SMN1; SMN2ALDH1A1HPGDNPSR1ATR
SCHEMBL5210148 0.77 ALDH1A1 (0.37) KDM4EGLASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5207371 0.76 KDR (0.39) ATR
SCHEMBL14527935 0.75 KDR (0.43) KDM4EALDH1A1RET
SCHEMBL5209155 0.75 KDR (0.53) EGFRBTK
SCHEMBL5208093 0.74 KDR (0.42) ATREGFRBTK

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-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 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-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDM4E 2405/4885GLA 1859/4885SMN1; SMN2 4857/4885

“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.