SCHEMBL19680460

SCHEMBL19680460

Cc1ccc2c(/N=C3\N/C(=N\c4c(N5CCOCC5)nn5c(C)c(C)ccc45)C(N)=CC3=N)c(N3CCOCC3)nn2c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
LRRK2 Q5S007 2/20 0.30

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
SCHEMBL17851651 1.00 PIK3CA (0.34) PIK3CAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19743689 1.00 PIK3CA (0.34) PIK3CAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL26095472 0.91 PDE10A (0.30)
SCHEMBL19680469 0.91 PDE10A (0.30)
SCHEMBL26465502 0.91 PDE10A (0.30)
SCHEMBL19744239 0.90 PDE10A (0.30)
SCHEMBL17851638 0.90 PDE10A (0.30)
SCHEMBL19680464 0.90 PDE10A (0.30)
SCHEMBL19680462 0.89 HRH4 (0.31)
SCHEMBL19744060 0.89 HRH4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240043-B2 Use for dyeing keratin fibres of a compound of azomethine type bearing two pyrazolopyridine units L'OREAL (FR) 2019-03-26 US disclosed
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
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 (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-20170349753-A1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING TWO PYRAZOLOPYRIDINE UNITS KRT18, DSP, TMPO PIK3CA 3501/4885ALDH1A1 1195/4885CYP1A2 1067/4885
US-10240043-B2 Use for dyeing keratin fibres of a compound of azomethine type bearing two pyrazolopyridine units KRT18, DSP, TMPO PIK3CA 3501/4885ALDH1A1 1195/4885CYP1A2 1067/4885

“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.