SCHEMBL12015849

SCHEMBL12015849

CC(C)c1cncc(NCCCN2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.48
▸ ICAM1 P05362 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36

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
SCHEMBL12015791 0.87 KDR (0.48) KDRLMNARAB9A
SCHEMBL12015750 0.80 HTR7 (0.49) KDRLMNAEGFRRAB9ASRC
SCHEMBL12015773 0.73 HRH4 (0.52) KDRLMNASYKFGFR1EGFR
SCHEMBL12015776 0.72 HTR7 (0.40) KDREGFRRAB9A
SCHEMBL15871369 0.72 LMNA (0.46) LMNADRD2
SCHEMBL13607115 0.71 HTR7 (0.47) SRCSLC2A1
SCHEMBL23187613 0.70 RIPK2 (0.45) LMNA
SCHEMBL12015779 0.70 HTR7 (0.45) LMNA
SCHEMBL13436332 0.70 KDR (0.41) KDREGFR
SCHEMBL14924008 0.70 LMNA (0.47) LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (3 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885ICAM1 4824/4885SELE 4776/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885ICAM1 4824/4885SELE 4776/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885ICAM1 4824/4885SELE 4776/4885

“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.

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