SCHEMBL3387876

SCHEMBL3387876

CN(c1cccs1)c1ncnc2scc(-c3cccs3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
MITF O75030 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 7/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHEK1 O14757 1/20 0.46
ALDH1A1 P00352 9/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TNF P01375 1/20 0.46
PKM P14618 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL3382534 0.82 HTT (0.48) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL3385129 0.80 SMN1; SMN2 (0.48) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL5327351 0.79 CHEK1 (0.47) HTTTDP1MITFPIP4K2CSMN1; SMN2
Hydrochloric Acid SCHEMBL5321501 0.79 CHEK1 (0.46) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL2369346 0.77 MAPT (0.57) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL16281238 0.76 KDM4E (0.56) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL14090790 0.74 ALDH1A1 (0.54) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL2368840 0.74 SMN1; SMN2 (0.59) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL14414209 0.74 MAP4K4 (0.63) HTTTDP1MITFPIP4K2CSMN1; SMN2
SCHEMBL2368835 0.68 SMN1; SMN2 (0.65) HTTTDP1MITFPIP4K2CSMN1; SMN2

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
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 HTT 543/4885TDP1 2898/4885MITF 703/4885

“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.