SCHEMBL5468583

SCHEMBL5468583

COc1cc(Nc2ncnc3sccc23)cc(N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 3/20 0.67
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
PIP4K2A P48426 3/20 0.51
PIP4K2B P78356 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 2/20 0.49
FADS1 O60427 1/20 0.49
PIP4K2C Q8TBX8 1/20 0.48
TP53 P04637 1/20 0.47
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 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
SCHEMBL5315096 0.89 RAB9A (0.79) RAB9ANPC1MEN1KMT2APIP4K2A
SCHEMBL5312123 0.81 EGFR (0.49) RAB9ANPC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5334353 0.81 EGFR (0.48) RAB9ANPC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5332537 0.81 NPC1 (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5371558 0.74 CLK1 (0.47) RAB9ANPC1MEN1KMT2APIP4K2A
SCHEMBL5466877 0.73 MEN1 (0.84) RAB9ANPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5369266 0.72 MEN1 (0.82) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5330964 0.72 CSNK2A1 (0.35) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5314126 0.71 CSNK2A1 (0.39) EGFRTP53
Hydrochloric Acid SCHEMBL5334356 0.71 CSNK2A1 (0.35) RAB9ANPC1MEN1KMT2AKDM4E

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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US claimed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, API5 RAB9A 2331/4885NPC1 3693/4885MEN1 1984/4885

“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.