SCHEMBL905952

SCHEMBL905952

C[CH]C(N)n1nc(C)c2cc(F)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2B P41595 1/20 0.35
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
PTGS2 P35354 1/20 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
SCHEMBL905694 0.88 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL5682007 0.74 PTGS2 (0.32) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
SCHEMBL13106188 0.72 ADORA2A (0.60) PIM1PIM2ADORA2AADORA2BPTGS2
SCHEMBL905951 0.72 HTR2A (0.49) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
SCHEMBL905841 0.69 DYRK1A (0.40) HTR2AHTR2CHTR2B
SCHEMBL7772306 0.68 ADORA2A (0.46) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
Fumaric Acid SCHEMBL5682016 0.67 HTR2A (0.41) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
Fumaric Acid SCHEMBL5682001 0.67 HTR2A (0.41) HTR2AHTR2CCYP1A2CYP3A4CYP2C9
SCHEMBL13106278 0.66 ADORA2A (0.60) ADORA2AADORA2BPTGS2
Ammonia Solution, Strong SCHEMBL905953 0.66 ADORA2A (0.64) HTR2AHTR2CCYP1A2CYP3A4CYP2C9

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 HTR2A 6/4885HTR2C 1/4885CYP1A2 850/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885CYP1A2 850/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885CYP1A2 850/4885

“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.