SCHEMBL13065463

SCHEMBL13065463

CC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(OC2CCNCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
CHRM3 P20309 2/20 0.35
SLC6A2 P23975 1/20 0.35
EGFR P00533 5/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SOS1 Q07889 3/20 0.34
ROCK1 Q13464 1/20 0.33
KRAS P01116 2/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AURKB Q96GD4 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
SCHEMBL13065474 0.90 SOS1 (0.34) EGFRLMNASMN1; SMN2HSD17B10SOS1
SCHEMBL13065461 0.89 HRH3 (0.34) EGFRLMNASMN1; SMN2HSD17B10SOS1
SCHEMBL20962030 0.87 EGFR (0.39) EGFRLMNASMN1; SMN2HSD17B10PIK3CD
SCHEMBL13064815 0.87 PIK3CD (0.38) MAPK1SOS1KRASBRD4PIK3CD
SCHEMBL14329330 0.86 KDM4E (0.37) EGFRHSD17B10SOS1
SCHEMBL14329146 0.86 BTK (0.43) EGFRSOS1KRAS
SCHEMBL20961989 0.82 MAPK1 (0.36) MAPK1CHRM3SLC6A2EGFRSOS1
SCHEMBL4569301 0.78 LMNA (0.38) EGFRLMNASMN1; SMN2HSD17B10SOS1
SCHEMBL13065482 0.78 EGFR (0.38) MAPK1EGFRSOS1BRD4PIK3CD
SCHEMBL14329153 0.77 PIK3R1 (0.36) EGFRSOS1PIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
WO-2010129816-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2010-11-11 WO 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 (2 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-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD MAPK1 302/4885CHRM3 2887/4885SLC6A2 4828/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MAPK1 248/4885CHRM3 4102/4885SLC6A2 4635/4885

“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.