SCHEMBL13065474

SCHEMBL13065474

CC(Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(OC2CCN(C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.34
EGFR P00533 7/20 0.34
PIK3CD O00329 2/20 0.34
GRM4 Q14833 1/20 0.34
BTK Q06187 4/20 0.34
LRRK2 Q5S007 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ERBB2 P04626 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
SCHEMBL13065461 0.92 HRH3 (0.34) SOS1EGFRPIK3CDBTKLMNA
SCHEMBL20962030 0.91 EGFR (0.39) EGFRPIK3CDLMNASMN1; SMN2HSD17B10
SCHEMBL13065463 0.90 MAPK1 (0.37) SOS1EGFRPIK3CDLMNASMN1; SMN2
SCHEMBL14329146 0.89 BTK (0.43) SOS1EGFRBTK
SCHEMBL14329330 0.89 KDM4E (0.37) SOS1EGFRHSD17B10
SCHEMBL14329153 0.87 PIK3R1 (0.36) SOS1EGFRPIK3CDBTKLRRK2
SCHEMBL16419887 0.87 PIK3CD (0.44) EGFRPIK3CDERBB2
SCHEMBL13065460 0.80 PIK3R1 (0.36) SOS1PIK3CD
SCHEMBL4569339 0.80 PIK3R1 (0.36) SOS1PIK3CD
SCHEMBL3698809 0.79 PIK3CD (0.38) PIK3CD

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 SOS1 1439/4885EGFR 2450/4885PIK3CD 3/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SOS1 1020/4885EGFR 2377/4885PIK3CD 2/4885

“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.