SCHEMBL2996558

SCHEMBL2996558

O=C(O)c1cc2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK8 P45983 6/20 0.42
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39

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
SCHEMBL2987708 0.89 MAPK8 (0.51) ALDH1A1KDM4EMAPK8ARSMN1; SMN2
SCHEMBL2982901 0.81 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2PLK4AURKA
SCHEMBL2998612 0.81 AR (0.42) KDM4EMAPK8ARSMN1; SMN2MDM4
SCHEMBL8503749 0.77 CYP19A1 (0.54) ALDH1A1KDM4ESMN1; SMN2CCR2KMT2A
SCHEMBL2987706 0.76 KDM4E (0.43) ALDH1A1KDM4EMAPK8ARSMN1; SMN2
SCHEMBL8506348 0.73 SRC (0.43) ALDH1A1KDM4ESMN1; SMN2NOTUMCCR2
SCHEMBL5234784 0.72 ADORA2B (0.46) ALDH1A1KDM4EARSMN1; SMN2NOTUM
SCHEMBL8507003 0.72 PLA2G2A (0.48) ALDH1A1MAPK8KMT2ALMNA
SCHEMBL6408825 0.72 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL428663 0.72 NR4A2 (0.51) MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT ALDH1A1 397/4885KDM4E 3250/4885MAPK8 4356/4885

“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.