SCHEMBL5579366

SCHEMBL5579366

COc1ccc(N(C)c2ncnc3cc(-c4cccnc4)sc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CSF1R P07333 2/20 0.46
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAP3K8 P41279 1/20 0.42
PDE10A Q9Y233 1/20 0.42
EGFR P00533 3/20 0.41
FLT1 P17948 1/20 0.41
TUBB4A P04350 3/20 0.41

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
SCHEMBL5579326 0.77 CSF1R (0.50) NPC1RAB9AKMT2ATDP1CSF1R
SCHEMBL4064459 0.76 KMT2A (0.52) NPC1RAB9AKMT2ATDP1CSF1R
SCHEMBL3930205 0.74 CLK4 (0.45) NPC1RAB9AKMT2ATDP1CSF1R
SCHEMBL5579136 0.73 TUBB4A (0.64) CSF1RDYRK1ADYRK1BEGFRTUBB4A
SCHEMBL5380842 0.70 CYP1A2 (0.59) KMT2ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL7458720 0.70 NPC1 (0.52) NPC1RAB9ADYRK1ACYP1A2CYP3A4
SCHEMBL5316797 0.69 GBA1 (0.58) KMT2ACSF1RDYRK1ADYRK1BLMNA
SCHEMBL5330362 0.69 CYP1A2 (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4066693 0.69 MAP3K8 (0.46) NPC1RAB9AKMT2ATDP1DYRK1A
SCHEMBL5644371 0.68 EGFR (0.53) NPC1RAB9AKMT2ATDP1LMNA

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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US claimed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 NPC1 2922/4885RAB9A 1368/4885KMT2A 2940/4885

“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.