SCHEMBL3387613

SCHEMBL3387613

CN1CCN(c2nc(C(N)c3ccccn3)c3c(-c4ccccc4)csc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH4 Q9H3N8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL2368516 0.89 LMNA (0.50) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3387494 0.81 HTT (0.44) KDM4ENPSR1MEN1KMT2AHPGD
SCHEMBL2368941 0.79 LMNA (0.43) KDM4ENPSR1KMT2AHPGDSMN1; SMN2
SCHEMBL3381246 0.79 LMNA (0.43) KDM4EHPGDSMN1; SMN2LMNANPC1
SCHEMBL3387889 0.78 LMNA (0.50) KDM4EHPGDSMN1; SMN2LMNANPC1
SCHEMBL3383431 0.78 ALDH1A1 (0.44) KDM4EHPGDSMN1; SMN2LMNANPC1
SCHEMBL3387596 0.76 LMNA (0.42) KDM4EHPGDSMN1; SMN2LMNANPC1
SCHEMBL2368911 0.76 LMNA (0.45) KDM4EHPGDSMN1; SMN2LMNANPC1
SCHEMBL2369496 0.75 MAPK1 (0.41) KDM4EHPGDSMN1; SMN2LMNANPC1
SCHEMBL2369259 0.75 LMNA (0.41) KDM4EMEN1KMT2AHPGDSMN1; 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 3 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
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US 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 KDM4E 1880/4885NPSR1 571/4885HRH4 1028/4885

“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.