SCHEMBL8032869

SCHEMBL8032869

c1ccc2c(c1)CNCc1nccn1-2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 8/20 0.33
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 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
SCHEMBL4019735 0.79 HPGD (0.34) SMN1; SMN2TSHRMAPK1RIPK1ADRA2A
SCHEMBL2062166 0.78 BTK (0.30)
SCHEMBL8028665 0.78 ADRA1A (0.36) AVPR1AADRA2AADRA1A
SCHEMBL10780626 0.77 SRD5A1 (0.41) SMN1; SMN2TSHRMAPK1L3MBTL1RIPK1
SCHEMBL14511561 0.76 BRPF1 (0.42) TSHRMAPK1L3MBTL1MEN1KMT2A
SCHEMBL1982809 0.75 SMN1; SMN2 (0.42) AVPR1ASMN1; SMN2TSHRRIPK1MEN1
SCHEMBL8035211 0.74
SCHEMBL2340498 0.73 AVPR1A (0.38) AVPR1ASMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL3458513 0.70 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1L3MBTL1PNMT
SCHEMBL16207990 0.68 TSHR (0.38) TSHRRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 AVPR1A 369/4885SMN1; SMN2 3291/4885TSHR 2726/4885

“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.