SCHEMBL3706897

SCHEMBL3706897

Nc1n[nH]c(N)c1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MPO P05164 1/20 0.40
IDO1 P14902 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAPK14 Q16539 2/20 0.37
RET P07949 2/20 0.37
KDR P35968 2/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL155106 0.82 ALDH1A1 (0.41) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL4070775 0.81 GFER (0.43) MAPTGFERKDRMAP4K4PAK4
SCHEMBL21711411 0.70 ALDH1A1 (0.40) MAPTMEN1KMT2ARAB9AGFER
SCHEMBL22941466 0.68 MPO (0.43) MAPTALDH1A1MPOLOXL2RET
SCHEMBL7097939 0.68 ALDH1A1 (0.44) MEN1KMT2ARAB9AALDH1A1MPO
SCHEMBL13737667 0.68 ALDH1A1 (0.44) MAPTALDH1A1MPOIDO1LOXL2
SCHEMBL4230856 0.68 LMNA (0.62) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1468357 0.66 IDO1 (0.58) ALDH1A1IDO1LOXL2TAAR1AGXT
SCHEMBL16561361 0.66 IDO1 (0.58) ALDH1A1IDO1LOXL2TAAR1AGXT
SCHEMBL13758676 0.66 TAAR1 (0.45) MAPTALDH1A1MPOIDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 MAPT 3131/4885MEN1 1516/4885KMT2A 572/4885

“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.