SCHEMBL2256167

SCHEMBL2256167

CNc1nc(N)nc(CCOC)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
RAB9A P51151 11/20 0.37
NPC1 O15118 10/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
JAK2 O60674 3/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL29167151 0.83 KCNH3 (0.43) CASP1RAB9ANPC1MAPTALDH1A1
SCHEMBL3685659 0.82 CASP1 (0.54) CASP1RAB9ANPC1MAPTALDH1A1
SCHEMBL28563216 0.76 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1JAK2
SCHEMBL10727606 0.71 CASP1 (0.42) CASP1L3MBTL1LMNAHTTHSD17B10
SCHEMBL9910 0.71 ALDH1A1 (0.40) CASP1RAB9AMAPTALDH1A1LMNA
SCHEMBL593132 0.71 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL25422725 0.69 ALDH1A1 (0.42) CASP1RAB9AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11061003 0.69 ALDH1A1 (0.39) CASP1RAB9AMAPTALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28937474 0.69 ALDH1A1 (0.39) CASP1MAPTALDH1A1POLBLMNA
SCHEMBL11394714 0.69 ALDH1A1 (0.39) CASP1RAB9AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE HAMARI CHEMICALS, LTD. (JP) 2011-08-25 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-20110207926-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE QDPR, DRD4, DRD1 CASP1 146/4885RAB9A 2118/4885NPC1 4162/4885

“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.