SCHEMBL3877018

SCHEMBL3877018

NC(=O)Nc1cc(N)c2[nH]c3ccccc3c2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
MAPT P10636 3/20 0.41
JAK2 O60674 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KLK7 P49862 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
PARP14 Q460N5 5/20 0.39
CHEK1 O14757 1/20 0.39
PRKCA P17252 4/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3874893 0.73 MEN1 (0.54) MAPTTP53HTTPOLBTDP1
SCHEMBL3873715 0.73 POLB (0.42) DYRK1AMAPTPOLBTDP1CHEK1
SCHEMBL3873238 0.72 TDP1 (0.43) MAPTHTTPOLBTDP1KDM4E
SCHEMBL27673178 0.72 DYRK1A (0.37) DYRK1AMAPTJAK2TP53HTT
SCHEMBL3885336 0.71 MEN1 (0.44) DYRK1AMAPTPOLBTDP1CHEK1
SCHEMBL3878381 0.70 MAPT (0.49) MAPTPOLBTDP1KDM4ECYP3A4
SCHEMBL3879312 0.69 IKBKB (0.48) MAPTPOLBKDM4EGAAPARP14
SCHEMBL3887278 0.69 POLB (0.41) MAPTHTTPOLBKDM4EGAA
SCHEMBL31145553 0.69 HRH4 (0.44) POLBTDP1KDM4EGAACYP3A4
SCHEMBL3885334 0.69 IDO1 (0.40) MAPTPOLBTDP1KDM4ECHEK1

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 DYRK1A 1995/4885MAPT 420/4885JAK2 4614/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 DYRK1A 1995/4885MAPT 420/4885JAK2 4614/4885

“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.