SCHEMBL5240318

SCHEMBL5240318

CC(C)(C)c1ccc(C(=O)Nc2nccnc2C(=O)Nc2ccc(Cl)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
TP53 P04637 4/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
TSHR P16473 1/20 0.58
DEGS1 O15121 2/20 0.57
NPC1 O15118 8/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 3/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL13313051 0.88 RAB9A (0.76) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL6773804 0.80 F10 (0.65) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL28764679 0.78 L3MBTL1 (0.66) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL29837506 0.78 L3MBTL1 (0.66) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL6108304 0.77 F10 (0.72) F10
SCHEMBL6109802 0.76 SERPINE1 (0.71) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL13923493 0.75 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL6109799 0.75 PPARG (0.63) F10
SCHEMBL3618277 0.75 KMT2A (0.55) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL18070988 0.75 L3MBTL1 (0.60) RAB9ASMN1; SMN2TP53NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US claimed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO claimed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO disclosed
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 RAB9A 1588/4885SMN1; SMN2 174/4885TP53 1036/4885

“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.