SCHEMBL5213334

SCHEMBL5213334

COc1ccc(C(=N)c2cccnc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
CLK4 Q9HAZ1 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL5215013 0.83 NAPRT (0.47) NPC1RAB9AGAANAPRTALDH1A1
SCHEMBL2679986 0.82 KMT2A (0.55) NPC1RAB9AL3MBTL1GAANAPRT
SCHEMBL9390307 0.82 NPC1 (0.48) NPC1RAB9AL3MBTL1GAACLK4
SCHEMBL5215708 0.80 NAPRT (0.47) NPC1RAB9AL3MBTL1NAPRTALDH1A1
SCHEMBL28764683 0.77 ADRB2 (0.46) NPC1RAB9ANAPRTHTTSMN1; SMN2
SCHEMBL5211758 0.75 NAPRT (0.46) L3MBTL1GAANAPRTALDH1A1KDM4E
SCHEMBL24061946 0.75 NAPRT (0.46) PRSS1PRSS2PRSS3L3MBTL1NAPRT
SCHEMBL5212527 0.72 GABRP (0.46) L3MBTL1NAPRTALDH1A1KDM4ENPSR1
SCHEMBL5082858 0.72 PRSS1 (0.67) PRSS1PRSS2PRSS3ALDH1A1HPGD
SCHEMBL8671006 0.71 PRSS1 (0.47) NPC1RAB9APRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275954-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2007-11-29 US disclosed
EP-1751119-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2007-02-14 EP disclosed
WO-2005111001-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2005-11-24 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 (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-20070275954-A1 Novel Fused Heterocycles and Uses Thereof VIP, CCKBR, HRH2 NPC1 679/4885RAB9A 388/4885PRSS1 1294/4885

“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.