SCHEMBL6489608

SCHEMBL6489608

CCn1nc(C)cc1-c1nnc(SCc2ccccc2)n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
METAP2 P50579 4/20 0.50
GAA P10253 1/20 0.49
TERT O14746 4/20 0.48
PTK2 Q05397 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 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
Water SCHEMBL1905418 0.99 SMN1; SMN2 (0.50) SMN1; SMN2METAP2GAATERTPTK2
Water SCHEMBL1905420 0.99 SMN1; SMN2 (0.50) SMN1; SMN2METAP2GAATERTPTK2
SCHEMBL13856862 0.88 CYP1A2 (0.54) SMN1; SMN2METAP2GAATERTPTK2
SCHEMBL12325293 0.87 CYP1A2 (0.49) SMN1; SMN2METAP2GAATERTPTK2
SCHEMBL14027400 0.86 NPC1 (0.54) SMN1; SMN2CYP3A4CYP2C9LMNAMEN1
SCHEMBL3083631 0.81 MAPT (0.59) SMN1; SMN2CYP3A4CYP2C9LMNAMEN1
SCHEMBL13856857 0.79 TP53 (0.61) PTK2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL3071327 0.75 LMNA (0.60) SMN1; SMN2LMNAKDM4EALDH1A1NPSR1
SCHEMBL7746877 0.72 MAPT (0.50) SMN1; SMN2LMNAALDH1A1NPSR1HTT
SCHEMBL3074301 0.72 TP53 (0.53) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357913-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2003-11-05 EP claimed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US claimed
WO-2002064135-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2002-08-22 WO claimed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-6894054-B2 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. (US) 2005-05-17 US disclosed
EP-1357913-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2003-11-05 EP disclosed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US disclosed
WO-2002064135-A1 HETEROCYCLIC INHIBITORS OF GLYCINE TRANSPORTER 2 TELIK, INC. (US) 2002-08-22 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 (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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB SMN1; SMN2 4868/4885METAP2 2783/4885GAA 2091/4885
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 SLC1A2, SLC1A1, SLC1A3 SMN1; SMN2 210/4885METAP2 662/4885GAA 676/4885

“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.