SCHEMBL3107495

SCHEMBL3107495

[NH]n1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
KEAP1 Q14145 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
THPO P40225 1/20 0.56
CYP4Z1 Q86W10 1/20 0.56
DGAT1 O75907 1/20 0.55
GRM2 Q14416 1/20 0.47
RAB9A P51151 2/20 0.46
KCNMA1 Q12791 1/20 0.46
MGAM O43451 1/20 0.44
F2 P00734 1/20 0.44
AMY1A P0DUB6 1/20 0.44

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
SCHEMBL3072391 0.75 SLC9A1 (0.60) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL10864544 0.74 MAPT (0.95) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL28246810 0.74 POLB (0.95) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL4459864 0.74 SLC9A1 (0.54) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL1151656 0.74 SLC9A1 (0.95) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL9171873 0.74 SLC9A1 (0.54) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL9172879 0.74 SLC9A1 (0.54) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL18372356 0.71 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL3672275 0.71 POLB (1.00) SLC9A1MAPTPOLBMAPK1ATM
SCHEMBL15548600 0.71 SLC9A1 (0.56) SLC9A1MAPTPOLBMAPK1ATM

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
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 SLC9A1 882/4885MAPT 4724/4885POLB 3558/4885

“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.