SCHEMBL4473874

SCHEMBL4473874

Cc1[c]c2nc(C(N)=O)ccc2cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
NNMT P40261 2/20 0.37
PARP1 P09874 1/20 0.33
LMNA P02545 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
GRM2 Q14416 1/20 0.32
LCK P06239 1/20 0.32
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 2/20 0.32
DGAT1 O75907 1/20 0.32
PTPN1 P18031 1/20 0.31
IKBKB O14920 1/20 0.31
ALDH1A1 P00352 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL3343146 0.76 GRM2 (0.41) PIM1NNMTGRM2TGFBR1PTPN1
SCHEMBL19329369 0.71 PIM1 (0.49) PIM1NNMTPARP1LMNALCK
SCHEMBL3344557 0.68 GRM2 (0.41) PIM1NNMTLMNAGRM2TGFBR1
SCHEMBL3342006 0.68 PTPN1 (0.43) PIM1NNMTLMNAGRM2TGFBR1
SCHEMBL14610232 0.68 PIM1 (0.68) PIM1NNMTPARP1LMNACCNC
SCHEMBL1013960 0.67 P2RX7 (0.63) PIM1NNMTPARP1IRAK4P2RX7
SCHEMBL3999989 0.67 NOS3 (0.46) PIM1NNMTLMNAGRM2P2RX7
SCHEMBL29447048 0.67 P2RX7 (0.63) PIM1NNMTPARP1IRAK4P2RX7
SCHEMBL3344491 0.67 GRM2 (0.40) LMNAGRM2LCK
SCHEMBL5447337 0.67 GRM2 (0.35) PIM1NNMTLMNAGRM2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A PIM1 3236/4885NNMT 372/4885PARP1 1147/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A PIM1 3236/4885NNMT 372/4885PARP1 1147/4885

“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.