SCHEMBL19276304

SCHEMBL19276304

Oc1ccc(CCNc2nc(-c3cncc(F)c3)nc3c2cnn3[C@@H]2CCOC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.38
▸ MTOR P42345 4/20 0.38
▸ PLK4 O00444 13/20 0.38
▸ NTRK1 P04629 7/20 0.38
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ PDE1C Q14123 2/20 0.37
▸ PIK3CG P48736 2/20 0.36
▸ PAK4 O96013 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL2314682 0.84 PIK3CA (0.44) PIK3CAMTORPIK3CG
SCHEMBL2314694 0.84 PIK3CA (0.44) PIK3CAMTORPIK3CG
SCHEMBL2312913 0.79 GGPS1 (0.41) PLK4HTT
SCHEMBL30476568 0.79 GGPS1 (0.41) PLK4HTT
SCHEMBL2314422 0.79 PIK3CA (0.43) PIK3CAMTORPIK3CGHTT
SCHEMBL21017199 0.74 TLR9 (0.38) PIK3CAMTORPIK3CGHTT
SCHEMBL2316755 0.74 AHR (0.43) NTRK1HTT
SCHEMBL2317411 0.71 PIK3CA (0.44) PIK3CAMTORPIK3CG
SCHEMBL13253979 0.71 PIK3CA (0.44) PIK3CAMTORPIK3CG
SCHEMBL13253978 0.71 PIK3CA (0.44) PIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2017-08-24 — — US disclosed
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2017-08-24 — — 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 (1 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-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 PIK3CA 1299/4885MTOR 1140/4885PLK4 4123/4885

“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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