SCHEMBL13033477

SCHEMBL13033477

Clc1ccc(N2CCC(N3CCCC3)CC2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.58
FGFR1 P11362 10/20 0.58
FLT1 P17948 9/20 0.58
KDR P35968 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
BCR P11274 3/20 0.47
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3511028 0.99 ABL1 (0.60) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL13033829 0.91 FGFR1 (0.50) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL13033553 0.91 FGFR1 (0.51) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL1624965 0.90 LMNA (0.54) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL13033687 0.89 FGFR1 (0.46) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL1625564 0.87 LMNA (0.49) ABL1FGFR1FLT1KDM4ENPC1
SCHEMBL3511829 0.86 KDM4E (0.51) ABL1FGFR1FLT1KDM4ENPC1
SCHEMBL16328077 0.86 TRPC3 (0.55) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL13033398 0.86 SSTR2 (0.54) ABL1FGFR1FLT1KDRKDM4E
SCHEMBL13033686 0.85 KDM4E (0.44) ABL1FGFR1FLT1KDRKDM4E

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO ABL1 1305/4885FGFR1 222/4885FLT1 1748/4885

“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.