SCHEMBL8288254

SCHEMBL8288254

SCc1nc2cccnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.38
AXL P30530 1/20 0.37
NUDT1 P36639 1/20 0.37
LMNA P02545 1/20 0.36
CDK1 P06493 2/20 0.35
CDK2 P24941 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL7002587 0.85 GAA (0.42) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18291869 0.81 ALDH1A1 (0.38) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4333658 0.81 ALDH1A1 (0.38) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4361327 0.81 DDAH1 (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5264712 0.81 ALDH1A1 (0.38) MAPTTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL4347806 0.81 RIPK1 (0.43) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL2972100 0.81 ALDH1A1 (0.38) MAPTNPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL4472373 0.80 PKM (0.37) MAPTNPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL28952865 0.80 PKM (0.37) MAPTNPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL18765156 0.80 PKM (0.37) MAPTNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO 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 (2 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 MAPT 490/4885MEN1 3147/4885PSMD14 3131/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G MAPT 427/4885MEN1 4056/4885PSMD14 3409/4885

“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.