SCHEMBL3873238

SCHEMBL3873238

CCc1cc(N)c2[nH]c3ccccc3c2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CHEK1 O14757 1/20 0.41
PRKCA P17252 3/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CAMK2B Q13554 2/20 0.41
CAMK2G Q13555 2/20 0.41
CAMK2D Q13557 2/20 0.41
CAMK2A Q9UQM7 2/20 0.41
KIF11 P52732 1/20 0.41
PRKD3 O94806 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
CDK1 P06493 1/20 0.41

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 0.80 MEN1 (0.54) TDP1POLBMAPTMEN1KMT2A
SCHEMBL28149805 0.78 TDP1 (0.45) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3885336 0.77 MEN1 (0.44) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3873715 0.76 POLB (0.42) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3878381 0.76 MAPT (0.49) TDP1POLBMAPTMEN1KMT2A
SCHEMBL9644913 0.73 MAPT (0.55) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3877018 0.72 DYRK1A (0.42) TDP1POLBMAPTMEN1KMT2A
SCHEMBL869230 0.72 MAPT (0.54) TDP1POLBMAPTMEN1KMT2A
SCHEMBL7539865 0.72 KIF11 (0.54) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3885334 0.71 IDO1 (0.40) TDP1POLBMAPTMEN1KMT2A

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 TDP1 3181/4885POLB 796/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TDP1 3181/4885POLB 796/4885MAPT 420/4885

“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.