SCHEMBL19680477

SCHEMBL19680477

Cc1c(OCCN(C)C)nn2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GUCY1B2 O75343 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
GUCY1A2 P33402 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42

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
SCHEMBL1840855 0.84 KAT2B (0.45) KAT2BCYP1A2CYP2D6HRH3KDM4E
Hydrochloric Acid SCHEMBL1840270 0.83 KAT2B (0.44) KAT2BCYP1A2CYP2D6HRH3KDM4E
Hydrochloric Acid SCHEMBL3317178 0.83 KAT2B (0.44) KAT2BCYP1A2CYP2D6HRH3KDM4E
SCHEMBL12659780 0.82 EGFR (0.39) CYP1A2CYP2D6DRD3HTR6JAK2
SCHEMBL12660152 0.81 KAT2B (0.42) KAT2BCYP1A2CYP2D6HRH3KDM4E
Hypochlorous Acid SCHEMBL3319939 0.81 KAT2B (0.42) KAT2BCYP1A2CYP2D6HRH3KDM4E
SCHEMBL19680480 0.81 EGFR (0.38) CYP1A2CYP2D6HRH3KDM4EGUCY1B2
SCHEMBL13016469 0.80 ALDH1A1 (0.37) CYP1A2CYP2D6KDM4EHTR1ADRD3
SCHEMBL1844055 0.80 KAT2B (0.44) KAT2BCYP1A2CYP2D6HRH3KDM4E
SCHEMBL4411507 0.78 HRH3 (0.49) KAT2BCYP1A2CYP2D6HRH3KDM4E

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-20170349753-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS L'OREAL (FR) 2017-12-07 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-20170349753-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS KRT18, DSP, TMPO KAT2B 1957/4885CYP1A2 1067/4885CYP2D6 922/4885

“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.