SCHEMBL16496259

SCHEMBL16496259

NC(=O)c1ccc2c(n1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
KMT2A Q03164 1/20 0.39
MAP3K14 Q99558 1/20 0.39
LMNA P02545 1/20 0.38
NNMT P40261 1/20 0.37
SCN9A Q15858 2/20 0.35
CNR2 P34972 1/20 0.35
PARP1 P09874 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL29649376 0.88 ADRA2A (0.54) PIM1ADRA2AADRA2BADRA2CMAP3K14
SCHEMBL30540639 0.88 ADRA2A (0.50) PIM1ADRA2AADRA2BADRA2CMAP3K14
SCHEMBL18248744 0.88 ADRA2A (0.54) PIM1ADRA2AADRA2BADRA2CMAP3K14
SCHEMBL31133390 0.80 GRM2 (0.50) PIM1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL21818572 0.80 GRM2 (0.50) PIM1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL17541073 0.78 HTR2C (0.41) ADRA2AADRA2BADRA2CPARP1
SCHEMBL4821151 0.78 PIM1 (0.36) PIM1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL30916132 0.78 F10 (0.45) ADRA2AADRA2BADRA2CPARP1
SCHEMBL10207574 0.78 F10 (0.45) ADRA2AADRA2BADRA2CPARP1
SCHEMBL30916107 0.76 F10 (0.48) KMT2ALMNAPARP1KDM4ERAB9A

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-10421763-B2 Compositions of protein receptor tyrosine kinase inhibitors PURDUE PHARMA L.P. (US) 2019-09-24 US disclosed
US-9040508-B2 Compositions of protein receptor tyrosine kinase inhibitors VM PHARMA LLC (US) 2015-05-26 US disclosed
US-20110301133-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS VM PHARMA LLC (US) 2011-12-08 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-10421763-B2 Compositions of protein receptor tyrosine kinase inhibitors NGFR, NGF, GRB2 PIM1 1424/4885ADRA2A 2177/4885ADRA2B 2033/4885
US-20110301133-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS NGFR, NGF, GRB2 PIM1 1424/4885ADRA2A 2177/4885ADRA2B 2033/4885

“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.