SCHEMBL5523949

SCHEMBL5523949

NC(=S)Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
LMNA P02545 2/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
STAT3 P40763 1/20 0.56
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
DGAT1 O75907 6/20 0.50
PPARG P37231 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CNR2 P34972 1/20 0.47

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
SCHEMBL12392903 0.86 MAPT (0.65) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4245275 0.86 MAPT (0.58) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
Hydrochloric Acid SCHEMBL4243938 0.84 MAPT (0.57) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL2267512 0.82 MAPT (0.64) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL21379546 0.81 MAPT (0.70) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL50482 0.80 MAPT (0.69) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL4500215 0.80 MAPT (0.61) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL6832833 0.79 GAA (0.65) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL16864479 0.77 MAPT (0.54) MAPTSMN1; SMN2CYP1A2LMNACYP2C19
SCHEMBL2790485 0.77 MAPT (0.58) MAPTSMN1; SMN2CYP1A2LMNACYP2C19

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
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPT 680/4885SMN1; SMN2 1509/4885CYP1A2 407/4885

“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.