SCHEMBL4865516

SCHEMBL4865516

Cc1cccc(C(=O)C(=O)C2=COC(Cc3ccccc3)O2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
CTSA P10619 2/20 0.37
GRM5 P41594 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PDE10A Q9Y233 1/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ACKR3 P25106 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.31
GBA1 P04062 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
SCHEMBL5911326 0.80 SMN1; SMN2 (0.36) GRM5KMT2AMEN1SMN1; SMN2BRD4
SCHEMBL5175535 0.75 L3MBTL1 (0.44) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL230546 0.74 CTRB1 (0.36)
SCHEMBL4258317 0.72 CTRB1 (0.33)
SCHEMBL5004808 0.72 PLA2G10 (0.39) KMT2AKDM4EALDH1A1
SCHEMBL388934 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3712470 0.71 TSHR (0.40) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2237588 0.71 P2RX7 (0.62) P2RX7CTSAGRM5KMT2AMEN1
SCHEMBL133894 0.70 MEN1 (0.36) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5742539 0.70 PTPN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD

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-8420685-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2013-04-16 US disclosed
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-7407958-B2 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors SK CHEMICALS CO., LTD. (KR) 2008-08-05 US disclosed
EP-1620426-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS In2gen Co., Ltd. (KR) 2006-02-01 EP disclosed
US-20050261299-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2005-11-24 US disclosed
WO-2005103028-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS ALK5 AND/OR ALK4 INHIBITORS IN2GEN CO., LTD (KR) 2005-11-03 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-20050261299-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ACVR1, ACVRL1, ACVR1B P2RX7 2936/4885CTSA 3735/4885GRM5 2522/4885
US-20080319022-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 P2RX7 1674/4885CTSA 4018/4885GRM5 796/4885

“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.