SCHEMBL5235652

SCHEMBL5235652

C/C(NCCCc1ccccc1)=C(\C#N)C(N)=S

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.42
KDM4A O75164 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5235658 1.00 KMT2A (0.47) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5235665 1.00 KMT2A (0.47) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5234638 0.92 NPC1 (0.50) KMT2AMEN1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11610126 0.86 KMT2A (0.49) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5238423 0.83 ALDH1A1 (0.54) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL5238435 0.83 ALDH1A1 (0.54) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL5238428 0.83 ALDH1A1 (0.54) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL3911693 0.74 KMT2A (0.62) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL11609036 0.74 KMT2A (0.50) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL5237453 0.73 TSHR (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 KMT2A 2660/4885MEN1 975/4885CYP2D6 2528/4885

“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.