SCHEMBL16631384

SCHEMBL16631384

Cc1cc2c(F)cc[nH]c-2nc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.34
P2RX7 Q99572 7/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
GUSB P08236 1/20 0.32
APEX1 P27695 1/20 0.32
MBNL1 Q9NR56 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31

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
SCHEMBL16631535 0.86 NPC1 (0.35) NPC1RAB9AATMERAP1ADORA2A
SCHEMBL16631415 0.81 DCUN1D1 (0.33) CDK2NPC1RAB9AATMERAP1
SCHEMBL5598412 0.80 KDM4E (0.39) P2RX7MGAMGAASIMGAM2
SCHEMBL18080448 0.79 TRPV1 (0.33) P2RX7GPR84GUSBAPEX1JAK2
SCHEMBL16631536 0.78 P2RX7 (0.30) P2RX7
SCHEMBL16631498 0.78 PDE3B (0.30)
SCHEMBL16631363 0.76
SCHEMBL16631550 0.74 AMY1A (0.35) P2RX7NPC1RAB9AATMERAP1
SCHEMBL16631385 0.74 AMY1A (0.35) NPC1RAB9AATMERAP1MGAM
SCHEMBL18081952 0.71 ATAD2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CDK2 3730/4885P2RX7 875/4885NPC1 1636/4885

“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.