SCHEMBL13065475

SCHEMBL13065475

Cc1cccc2cc(C(Nc3ncnc4[nH]cnc34)c3ccccc3)ncc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ EGFR P00533 10/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ RPS6KB1 P23443 4/20 0.32
▸ AURKA O14965 3/20 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
SCHEMBL20961968 0.86 S1PR3 (0.40) S1PR4S1PR3S1PR2LMNASMN1; SMN2
SCHEMBL14713436 0.70 LMNA (0.64) LMNASMN1; SMN2HSD17B10EGFRRPS6KB1
SCHEMBL5019518 0.70 LMNA (0.64) LMNASMN1; SMN2HSD17B10EGFRRPS6KB1
SCHEMBL2623141 0.70 LMNA (0.64) LMNASMN1; SMN2HSD17B10EGFRRPS6KB1
SCHEMBL4569301 0.70 LMNA (0.38) LMNASMN1; SMN2HSD17B10EGFRPIK3R1
SCHEMBL4569335 0.69 PIK3R1 (0.41) LMNASMN1; SMN2HSD17B10EGFRPIK3R1
SCHEMBL15950870 0.69 SMN1; SMN2 (0.39) LMNASMN1; SMN2HSD17B10EGFRRPS6KB1
SCHEMBL356990 0.69 PIK3CD (0.61) PIK3R1PIK3CAPIK3CD
SCHEMBL13065477 0.69 PIK3R1 (0.43) LMNASMN1; SMN2HSD17B10EGFRPIK3R1
SCHEMBL7773690 0.69 LMNA (0.43) LMNASMN1; SMN2HSD17B10EGFRRPS6KB1

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 S1PR4 3109/4885S1PR3 1935/4885S1PR2 3381/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB S1PR4 3481/4885S1PR3 2528/4885S1PR2 3223/4885

“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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