SCHEMBL2948825

SCHEMBL2948825

Cc1ccc2nc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.55
MAPT P10636 7/20 0.52
KDM4E B2RXH2 6/20 0.52
GLA P06280 4/20 0.52
GAA P10253 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 7/20 0.50
TP53 P04637 3/20 0.50
SNCA P37840 1/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL2942644 0.85 S1PR1 (0.51) APPMAPTKDM4EGLAGAA
SCHEMBL27638532 0.83 S1PR1 (0.52) APPMAPTKDM4EGLAGAA
SCHEMBL12422170 0.81 APP (0.63) APPMAPTKDM4EGLAGAA
SCHEMBL2941960 0.81 APP (0.59) APPMAPTKDM4EGLAGAA
SCHEMBL507097 0.80 MAPT (0.71) APPMAPTKDM4EGLAGAA
SCHEMBL2949294 0.79 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL2939664 0.77 S1PR1 (0.70) KDM4ESMN1; SMN2S1PR1S1PR3LMNA
SCHEMBL12422159 0.77 APP (0.53) APPMAPTKDM4EGLAGAA
SCHEMBL18470569 0.77 APP (0.71) APPMAPTKDM4EGLAGAA
SCHEMBL2945808 0.77 S1PR1 (0.57) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1791592-B Immunosuppressant compounds and compositions IRM LLC 2012-07-04 CN disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
CN-1791592-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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 (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-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 APP 4458/4885MAPT 3586/4885KDM4E 2364/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 APP 4458/4885MAPT 3586/4885KDM4E 2364/4885

“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.