SCHEMBL5577633

SCHEMBL5577633

COc1ccc(CN2CCC(c3ncc(CNC(=O)c4cccc(Cl)c4C)s3)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
ABCB1 P08183 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACKR3 P25106 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
BCHE P06276 2/20 0.41
CCR3 P51677 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5577426 0.96 PDE5A (0.41) JAK1JAK3ABCB1NPC1RAB9A
SCHEMBL5577334 0.87 MT-CO2 (0.45) SIGMAR1ACKR3LMNAHTR2CHTR2B
SCHEMBL5577386 0.86 ALDH1A1 (0.44) ABCB1LMNASMN1; SMN2USP2KDM4E
SCHEMBL5577718 0.85 LMNA (0.49) JAK1JAK3ABCB1SIGMAR1ACKR3
SCHEMBL5577361 0.84 KDM4E (0.42) JAK1JAK3LMNAKDM4EALDH1A1
SCHEMBL5577609 0.84 ALDH1A1 (0.46) ABCB1LMNASMN1; SMN2USP2KDM4E
SCHEMBL5577720 0.83 MT-CO2 (0.44) SIGMAR1ACKR3LMNAHTR2AHTR2C
SCHEMBL5577640 0.83 HTR4 (0.43) JAK1JAK3ABCB1NPC1RAB9A
SCHEMBL5577735 0.83 LMNA (0.46) JAK1JAK3NPC1RAB9ASIGMAR1
SCHEMBL5577850 0.82 LMNA (0.45) JAK1JAK3ABCB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C JAK1 202/4885JAK3 280/4885ABCB1 325/4885

“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.