SCHEMBL3348705

SCHEMBL3348705

Cc1ccc(-c2nnnn2C)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
SYK P43405 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ENPP3 O14638 1/20 0.38
KLRK1 P26718 1/20 0.38
MICA Q29983 1/20 0.38
RAET1L Q5VY80 1/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL29037233 0.83 MKNK1 (0.50) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3375136 0.78 ABCC9 (0.50) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3348740 0.78 ENPP3 (0.41) SMN1; SMN2SYKMKNK1MKNK2ALDH1A1
SCHEMBL3377975 0.77 PARP1 (0.51) SMN1; SMN2SYKBRD4PDE4DPDE7A
SCHEMBL3348708 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL23023473 0.75 PPM1B (0.47) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3343751 0.75 WNT1 (0.39) SMN1; SMN2SYKMKNK1MKNK2KMT2A
SCHEMBL26696260 0.74 PARP1 (0.44) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3344435 0.73 PKMYT1 (0.47) MKNK1MKNK2SIRT3TDP1BRD4
SCHEMBL3342117 0.73 PDE4D (0.39) SMN1; SMN2SYKMKNK1MKNK2ALDH1A1

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 SMN1; SMN2 2819/4885ABCC9 160/4885ABCC8 107/4885

“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.