SCHEMBL3593783

SCHEMBL3593783

Cc1ccc(Cn2cc(N)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.49
KLKB1 P03952 7/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KDR P35968 2/20 0.43
EPHB4 P54760 2/20 0.43
TEK Q02763 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19268474 0.86 MAPT (0.68) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL28139274 0.84 HSD17B10 (0.51) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL12598742 0.84 MAPT (0.56) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL712713 0.84 MAPT (0.70) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL15759268 0.83 KLKB1 (0.51) MAPTLMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL13102481 0.82 KLKB1 (0.54) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL3611556 0.82 MAPT (0.97) MAPTLMNAKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL712415 0.82 MAPT (0.73) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL950986 0.81 MAPT (0.67) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL165409 0.81 MEN1 (0.69) MAPTLMNAKMT2AMEN1L3MBTL1

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-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-11-16 US disclosed
US-9771366-B2 Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors PHOENIX MOLECULAR DESIGN (CA) 2017-09-26 US disclosed
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS PHOENIX MOLECULAR DESIGNS (CA) 2017-08-24 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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 (3 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 MAPT 3377/4885LMNA 1551/4885KMT2A 3500/4885
US-20170240549-A1 TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA5, RPS6KA2, RPS6KA1 MAPT 2253/4885LMNA 3218/4885KMT2A 2483/4885
US-20170327501-A1 CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS RPS6KA2, RPS6KA5, RPS6KA1 MAPT 2345/4885LMNA 1949/4885KMT2A 1710/4885

“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.