SCHEMBL4104841

SCHEMBL4104841

CCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)OC)CC3)nc2NC)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MALT1 Q9UDY8 5/20 0.38
NEK2 P51955 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
P2RY12 Q9H244 1/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.34
MAPK1 P28482 1/20 0.34
IKBKB O14920 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4105114 0.91 NEK2 (0.42) MALT1NEK2KDM4ESMN1; SMN2P2RY12
SCHEMBL4098795 0.90 LMNA (0.41) LMNAMALT1NEK2KDM4EKMT2A
SCHEMBL4110350 0.88 LMNA (0.45) LMNAMALT1NEK2KDM4EKMT2A
SCHEMBL27698002 0.84 LMNA (0.37) LMNAMALT1NEK2KDM4EKMT2A
SCHEMBL5600090 0.84 KDM4E (0.39) LMNAMALT1NEK2KDM4EKMT2A
SCHEMBL5450368 0.82 ELANE (0.39) LMNAMALT1NEK2P2RY12MAPT
SCHEMBL4103251 0.82 KDM4E (0.39) LMNAMALT1NEK2KDM4EKMT2A
SCHEMBL4102939 0.80 P2RY12 (0.60) MALT1P2RY12
SCHEMBL4102843 0.80 ELANE (0.44) MALT1NEK2P2RY12ELANE
SCHEMBL4103864 0.80 KDM4E (0.40) LMNAMALT1NEK2KDM4EKMT2A

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 LMNA 1527/4885MALT1 2875/4885NEK2 2025/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 LMNA 1598/4885MALT1 4652/4885NEK2 1807/4885

“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.