SCHEMBL905992

SCHEMBL905992

C[CH]C(N)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.54
JAK2 O60674 3/20 0.54
DYRK1A Q13627 4/20 0.45
FLT3 P36888 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
CSF1R P07333 2/20 0.45
CLK2 P49760 2/20 0.45
CSNK2A1 P68400 2/20 0.45
MAP4K2 Q12851 2/20 0.45
NTRK3 Q16288 2/20 0.45
AURKB Q96GD4 2/20 0.45
CSNK1D P48730 2/20 0.45
CSNK1G2 P78368 2/20 0.45
DCLK1 O15075 1/20 0.45
CHEK2 O96017 1/20 0.45
FER P16591 1/20 0.45
CDK2 P24941 1/20 0.45
MARK3 P27448 1/20 0.45

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
SCHEMBL905773 0.82 FADS1 (0.40) JAK2CSF1RHTR2AFADS1GSK3B
SCHEMBL906085 0.79 ALDH1A1 (0.44) DYRK1AHTR2AHTR2CHTR2BFADS1
SCHEMBL877445 0.79 PDPK1 (0.58) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL5989962 0.78 KDM4E (0.48) PDPK1FGFR1AURKAFLT1LRRK2
SCHEMBL20875256 0.76 PDPK1 (0.54) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL31482872 0.76 PDPK1 (0.58) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL786329 0.71 JAK2 (1.00) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL23067968 0.71 PDPK1 (0.47) PDPK1JAK2DYRK1AFLT3CLK4
SCHEMBL23068049 0.71 PDPK1 (0.47) PDPK1JAK2DYRK1AFLT3CLK4
Hydrazine SCHEMBL5316054 0.70 JAK2 (0.65) PDPK1JAK2DYRK1AFLT3CLK4

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-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO 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 (3 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C PDPK1 4542/4885JAK2 3380/4885DYRK1A 1891/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C PDPK1 4542/4885JAK2 3380/4885DYRK1A 1891/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C PDPK1 4542/4885JAK2 3380/4885DYRK1A 1891/4885

“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.