SCHEMBL4920077

SCHEMBL4920077

CCOC(=O)c1cc(Cn2c(C)cc(-c3ccc(C#N)cc3)c2C#N)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.47
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PDE5A O76074 1/20 0.37
ELANE P08246 1/20 0.37
KCNH2 Q12809 1/20 0.37
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36

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
SCHEMBL4914037 0.92 AR (0.50) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4912044 0.89 AR (0.46) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4915702 0.89 AR (0.47) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4920793 0.88 AR (0.45) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4917896 0.85 AR (0.49) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4911697 0.83 AR (0.67) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4919107 0.82 AR (0.46) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4914369 0.82 AR (0.68) ARMAPTLMNAKDM4EKLKB1
SCHEMBL4911753 0.81 AR (0.48) ARTSHRSMN1; SMN2MAPTLMNA
SCHEMBL4912017 0.81 TSHR (0.43) ARTSHRSMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885TSHR 165/4885SMN1; SMN2 4814/4885

“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.