SCHEMBL5017650

SCHEMBL5017650

O=C(Nc1ncc2cn[nH]c2n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
JAK2 O60674 1/20 0.55
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
F2 P00734 5/20 0.51
F12 P00748 4/20 0.51
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
PLAU P00749 1/20 0.50
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
BCAT2 O15382 1/20 0.48
CYP2C9 P11712 1/20 0.48
BRAF P15056 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5015389 0.78 DEGS1 (0.48) NPC1RAB9AADORA1ADORA3ADORA2A
SCHEMBL31060745 0.78 NPC1 (0.58) NPC1RAB9ACYP1A2CYP3A4GAA
SCHEMBL6307534 0.78 NPC1 (0.58) NPC1RAB9ACYP1A2CYP3A4GAA
SCHEMBL4405832 0.77 CYP1A2 (0.50) NPC1RAB9ACYP1A2CYP3A4GAA
SCHEMBL5014078 0.76 SMN1; SMN2 (0.57) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL5015439 0.76 TSHR (0.56) NPC1RAB9ACYP1A2GAAADORA3
SCHEMBL5013515 0.76 CCNE1 (0.50) RAB9AADORA1ADORA3KMT2AMEN1
SCHEMBL31412961 0.76 ROCK2 (0.47) CYP1A2GAAADORA1ADORA3AURKA
SCHEMBL678202 0.76 LMNA (0.55) JAK2CYP1A2CYP3A4GAACYP2C19
SCHEMBL8720225 0.75 CDK2 (0.59) NPC1RAB9AJAK2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 795/4885RAB9A 1142/4885JAK2 86/4885

“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.