SCHEMBL2450403

SCHEMBL2450403

N#Cc1cc(N2CCOCC2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
HTT P42858 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 2/20 0.63
NSD2 O96028 1/20 0.63
TSHR P16473 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
CASP6 P55212 1/20 0.63
LGMN Q99538 3/20 0.61
TBK1 Q9UHD2 1/20 0.54
MAPK1 P28482 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
PRKDC P78527 3/20 0.43

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
SCHEMBL81970 0.87 MAPT (0.63) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL6052510 0.86 KDM4E (0.49) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL2979851 0.85 MAPT (0.56) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL5461329 0.83 MAPT (0.59) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL3752824 0.81 MAPT (0.63) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL30432170 0.81 GAA (0.61) MAPTHTTSMN1; SMN2KDM4ETSHR
SCHEMBL3383519 0.81 GAA (0.61) MAPTHTTSMN1; SMN2KDM4ETSHR
SCHEMBL11294114 0.81 DRD2 (0.55) MAPTHTTTP53ALDH1A1CYP1A2
SCHEMBL27499321 0.80 LGMN (0.44) MAPTHTTSMN1; SMN2LMNAKDM4E
SCHEMBL904452 0.79 LGMN (0.73) MAPTHTTSMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
CN-111217816-A FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2020-06-02 CN disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 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-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA MAPT 1412/4885HTT 4280/4885SMN1; SMN2 4406/4885

“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.