SCHEMBL5215013

SCHEMBL5215013

Cc1ccc(C(=N)c2cccnc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
AHR P35869 1/20 0.40
PRKCI P41743 2/20 0.40
TP53 P04637 1/20 0.38
COMT P21964 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL5215708 0.83 NAPRT (0.47) NAPRTNOS3NOS1NOS2ALDH1A1
SCHEMBL5213334 0.83 NPC1 (0.48) NAPRTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL28764683 0.81 ADRB2 (0.46) NAPRTSMN1; SMN2NPC1RAB9APRKCI
SCHEMBL5211758 0.79 NAPRT (0.46) NAPRTNOS3NOS1NOS2SMN1; SMN2
SCHEMBL24061946 0.78 NAPRT (0.46) NAPRTALDH1A1PRKCI
SCHEMBL5212527 0.75 GABRP (0.46) NAPRTNOS3NOS1NOS2ALDH1A1
SCHEMBL12200613 0.74 NAPRT (0.57) NAPRTNOS3NOS1NOS2ALDH1A1
SCHEMBL7654215 0.74 NAPRT (0.61) NAPRTNOS3NOS1NOS2SMN1; SMN2
SCHEMBL14620960 0.72 NAPRT (0.50) NAPRTNOS3NOS1NOS2ALDH1A1
SCHEMBL15607642 0.71 NAPRT (0.57) NAPRTNOS3NOS1NOS2SMN1; SMN2

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 NAPRT 1023/4885NOS3 2222/4885NOS1 2523/4885

“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.