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SCHEMBL13065461

SCHEMBL13065461

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ SOS1 Q07889 2/20 0.33
▸ EGFR P00533 5/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ WHR1 P49842 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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 0.92 SOS1 (0.34) PIK3CDSOS1EGFRLMNASMN1; SMN2
SCHEMBL20962030 0.90 EGFR (0.39) HRH3PIK3CDEGFRLMNASMN1; SMN2
SCHEMBL13065463 0.89 MAPK1 (0.37) PIK3CDSOS1EGFRLMNASMN1; SMN2
SCHEMBL14329146 0.89 BTK (0.43) SOS1EGFRBTK
SCHEMBL14329330 0.89 KDM4E (0.37) SOS1EGFRHSD17B10
SCHEMBL4569339 0.88 PIK3R1 (0.36) HRH3PIK3CDSOS1
SCHEMBL13065460 0.88 PIK3R1 (0.36) HRH3PIK3CDSOS1
SCHEMBL3698809 0.87 PIK3CD (0.38) PIK3CD
SCHEMBL3698817 0.87 PIK3CD (0.38) PIK3CD
SCHEMBL4569407 0.82 PIK3CG (0.40) 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 HRH3 1843/4885PIK3CD 3/4885SOS1 1439/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HRH3 1592/4885PIK3CD 2/4885SOS1 1020/4885

“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.