SCHEMBL3874893

SCHEMBL3874893

Cc1cc(N)c2[nH]c3ccccc3c2c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
KIF11 P52732 1/20 0.47
PARP1 P09874 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ABCB1 P08183 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GABRP O00591 4/20 0.42
GABRD O14764 4/20 0.42
GABRA1 P14867 4/20 0.42
GABRB1 P18505 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 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
SCHEMBL3875398 0.87 MEN1 (0.54) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL3874032 0.84 PKM (0.53) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL3885336 0.81 MEN1 (0.44) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL3873715 0.80 POLB (0.42) MEN1MAPTKMT2APOLBTDP1
SCHEMBL3873238 0.80 TDP1 (0.43) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL3878381 0.80 MAPT (0.49) MEN1MAPTKMT2ACYP1A2POLB
SCHEMBL3874448 0.78 MAPT (0.45) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL3881326 0.78 MEN1 (0.51) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL3876731 0.77 MEN1 (0.44) MEN1MAPTKMT2AKIF11PARP1
SCHEMBL27653130 0.77 PARP1 (0.46) MEN1MAPTKMT2AKIF11PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MEN1 4857/4885MAPT 420/4885KMT2A 1681/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MEN1 4857/4885MAPT 420/4885KMT2A 1681/4885

“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.