SCHEMBL4098052

SCHEMBL4098052

N#Cc1cnc(N2CCN(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RY12 Q9H244 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRM4 Q14833 1/20 0.42
PARP1 P09874 1/20 0.41
TNK1 Q13470 1/20 0.41
CHRM4 P08173 2/20 0.41
CXCR3 P49682 1/20 0.41
GPR6 P46095 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
LMNA P02545 2/20 0.39
PANK3 Q9H999 1/20 0.39

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
SCHEMBL4103876 0.82 NR1H2 (0.56) KMT2AMEN1
SCHEMBL14735155 0.81 PHGDH (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL6125274 0.80 HRH4 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1PARP1
SCHEMBL4508825 0.79 GRM4 (0.42) SMN1; SMN2NPC1RAB9AGRM4CHRM4
SCHEMBL19212256 0.79 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL27741480 0.79 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL232021 0.79 ALDH1A1 (0.44) ALDH1A1PARP1TNK1
SCHEMBL16496043 0.77 PARP1 (0.49) PARP1PANK3
SCHEMBL3075186 0.77 CNR2 (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL27927939 0.77 KMT2A (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT

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
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 KMT2A 4642/4885SMN1; SMN2 3557/4885MEN1 2888/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KMT2A 4406/4885SMN1; SMN2 4121/4885MEN1 2007/4885

“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.