SCHEMBL906048

SCHEMBL906048

C[CH]C(N)n1nc(CC)c2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.35
CDK5 Q00535 1/20 0.35
TYRO3 Q06418 1/20 0.35
NLRP3 Q96P20 2/20 0.35
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
KHK P50053 3/20 0.30

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
SCHEMBL1981727 0.85 SLC6A4 (0.34) HTR2AHTR2CKHK
SCHEMBL705011 0.81 NLRP3 (0.47) PDGFRACDK5TYRO3NLRP3HTR2A
SCHEMBL5678073 0.74 NLRP3 (0.38) PDGFRACDK5TYRO3NLRP3
SCHEMBL7772318 0.74 NLRP3 (0.38) PDGFRACDK5TYRO3NLRP3
SCHEMBL906047 0.74 HTR2C (0.51) PDGFRACDK5TYRO3HTR2AHTR2C
SCHEMBL4507507 0.73 GRM4 (0.43) PDGFRACDK5TYRO3KHK
SCHEMBL683164 0.72 ADORA2A (0.43) PDGFRACDK5TYRO3HTR2AHTR2C
SCHEMBL23467048 0.70 NLRP3 (0.40) NLRP3HTR2AHTR2C
SCHEMBL683169 0.70 ADORA2A (0.46) PDGFRACDK5TYRO3KHK
Ammonia Solution, Strong SCHEMBL906049 0.69 ADORA2A (0.45) PDGFRACDK5TYRO3KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP claimed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US claimed
EP-1129078-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2001-09-05 EP claimed
WO-2000012481-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY________________ VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO claimed
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-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 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 (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 PDGFRA 1590/4885CDK5 633/4885TYRO3 1977/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C PDGFRA 1590/4885CDK5 633/4885TYRO3 1977/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C PDGFRA 1590/4885CDK5 633/4885TYRO3 1977/4885

“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.