SCHEMBL4213091

SCHEMBL4213091

Cc1cc(N2CCOCC2)nc(-n2nc(C)cc2C)n1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
ALOX15 P16050 3/20 0.70
MAPT P10636 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.69
LMNA P02545 1/20 0.69
GAA P10253 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ADORA2A P29274 6/20 0.68
ADORA1 P30542 5/20 0.68
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HRH4 Q9H3N8 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
EGFR P00533 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL21143855 0.88 ADORA2A (0.64) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL31127200 0.88 ADORA2A (0.64) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL13326955 0.83 KMT2A (1.00) KMT2AMAPTSMN1; SMN2LMNAGAA
SCHEMBL4219242 0.82 MAPT (1.00) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL4207871 0.82 ALOX15 (1.00) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL12918499 0.81 KMT2A (0.67) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL4207277 0.80 SMN1; SMN2 (0.66) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL2447803 0.79 ADORA2A (0.66) MAPTSMN1; SMN2LMNAADORA2AADORA1
SCHEMBL21144053 0.79 SMN1; SMN2 (0.64) KMT2AALOX15MAPTSMN1; SMN2LMNA
SCHEMBL19686779 0.78 ADORA2A (0.64) ALOX15MAPTSMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
US-20090036475-A1 Pyrazolyl-Pyrimidines as Potassium Channel Modulating Agents and Their Medical Use NEUROSEARCH A/S (DK) 2009-02-05 US disclosed
EP-1863796-A1 PYRAZOLYL-PYRIMIDINES AS POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-12-12 EP disclosed
WO-2006100212-A1 PYRAZOLYL-PYRIMIDINES AS POTASSIUM CHANNEL MODULATING AGENTS AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-09-28 WO 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 (2 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-20110003817-A1 Whitening Agent And Skin External Preparation TYR, MC1R, RTN3 KMT2A 2730/4885ALOX15 510/4885MAPT 4460/4885
US-20090036475-A1 Pyrazolyl-Pyrimidines as Potassium Channel Modulating Agents and Their Medical Use KCND2, KCNJ2, KCNN3 KMT2A 2246/4885ALOX15 4049/4885MAPT 1140/4885

“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.