SCHEMBL3989565

SCHEMBL3989565

Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 1.00
MTOR P42345 10/20 1.00
ALDH1A1 P00352 6/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
METAP1 P53582 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CFTR P13569 1/20 0.45

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
SCHEMBL3986325 0.86 MTOR (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL3986815 0.86 PIK3CA (0.75) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL3992072 0.85 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4988955 0.82 PIK3CA (1.00) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4992754 0.77 PIK3CA (0.65) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4991670 0.76 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL10143799 0.76 PIK3CA (0.76) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL1308487 0.73 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL3925354 0.73 PIK3CA (0.74) PIK3CAMTORALDH1A1HPGDHSD17B10
SCHEMBL4996533 0.73 PIK3CA (0.86) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP claimed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885ALDH1A1 3275/4885

“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.