SCHEMBL22158562

SCHEMBL22158562

Nc1cc(N)c2nc(-c3cccc(C(F)(F)F)c3)cn2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
F2RL3 Q96RI0 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 1/20 0.47
XDH P47989 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
CTSS P25774 1/20 0.43
IDO1 P14902 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4760686 0.80 KDM4E (0.60) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL1419883 0.76 NPC1 (0.53) TLR8F2RL3NPC1RAB9ASMN1; SMN2
SCHEMBL4757862 0.74 RAB9A (0.48) TLR8NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5466508 0.73
SCHEMBL6256565 0.72 CTSS (0.60) TLR8XDHKDM4EALDH1A1LMNA
SCHEMBL4709566 0.72 NPC1 (0.49) TLR8F2RL3NPC1RAB9ASMN1; SMN2
SCHEMBL10853666 0.71 CNR2 (0.53) XDHKDM4EALDH1A1KDM1AMAOB
SCHEMBL5453379 0.71 NPC1 (0.48) TLR8F2RL3NPC1RAB9ASMN1; SMN2
SCHEMBL9702800 0.70 KDM4E (0.62) TLR8F2RL3XDHKDM4EALDH1A1
SCHEMBL2816998 0.70 ADORA2A (0.69) KDM4EALDH1A1LMNAHPGDADORA2A

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-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 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-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 TLR8 1707/4885F2RL3 3355/4885NPC1 883/4885

“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.