SCHEMBL4419308

SCHEMBL4419308

Nc1c[nH]c2cc3c(N)c[nH]c3cc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.34
GSK3B P49841 2/20 0.34
GPR84 Q9NQS5 3/20 0.33
HTR2A P28223 3/20 0.32
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DYRK1A Q13627 1/20 0.31
TDO2 P48775 1/20 0.31

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
Hydrochloric Acid SCHEMBL23167685 0.81 GPR84 (0.53) GPR84HTR2AMEN1KMT2ATDO2
SCHEMBL4418812 0.81 GPR84 (0.44) IMPDH2GPR84GFERMEN1KMT2A
SCHEMBL8628537 0.78 HPGD (0.49) IMPDH2HTR2AHTR2CMAPT
SCHEMBL24208559 0.76 GPR84 (0.61) GPR84HTR2AALDH1A1MAPTTDP1
SCHEMBL23207295 0.76 GPR84 (0.51) GPR84HTR2AALDH1A1MAPTTDP1
SCHEMBL23207291 0.76 IDO1 (0.42) GSK3BGPR84HTR2AALDH1A1TDO2
SCHEMBL23207583 0.76 IDO1 (0.46) GPR84HTR2AMEN1KMT2AHTR2C
Hydrochloric Acid SCHEMBL23166769 0.75 IDO1 (0.41) GSK3BGPR84HTR2AMEN1KMT2A
Hydrochloric Acid SCHEMBL25384541 0.75 GPR84 (0.50) GPR84HTR2AMEN1KMT2AALDH1A1
SCHEMBL23612158 0.74 HTR2C (0.56) HTR2AMEN1KMT2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 IMPDH2 2434/4885GSK3B 2764/4885GPR84 3974/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 IMPDH2 2434/4885GSK3B 2764/4885GPR84 3974/4885

“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.