SCHEMBL905751

SCHEMBL905751

CC(N)Cc1nn(C)c2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
MAPK8 P45983 10/20 0.42
MAPK9 P45984 4/20 0.41
MAPK10 P53779 3/20 0.41
PNMT P11086 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MST1R Q04912 1/20 0.38
TYRO3 Q06418 1/20 0.38
NTRK3 Q16288 1/20 0.38
CAMK1D Q8IU85 1/20 0.38
ALK Q9UM73 1/20 0.38
NTRK1 P04629 1/20 0.37

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
Fumaric Acid SCHEMBL8138709 0.89 MAPK8 (0.40) HTR2AMAPK8MAPK9MAPK10NTRK1
Fumaric Acid SCHEMBL8138713 0.89 MAPK8 (0.40) HTR2AMAPK8MAPK9MAPK10NTRK1
SCHEMBL905871 0.84 HTR2A (0.43) HTR2AMAPK8MAPK9MAPK10PNMT
SCHEMBL16881243 0.83 MAPK8 (0.49) MAPK8MAPK9MAPK10KDM4C
SCHEMBL5989789 0.82 HTR1A (0.43) HTR2AHTR2CSLC6A2
SCHEMBL905832 0.80 HTR2A (0.46) HTR2AHTR2C
SCHEMBL15898846 0.80 GABRA1 (0.48) MAPK8MAPK9MAPK10KDM4C
SCHEMBL13106420 0.80 MAPK8 (0.56) MAPK8MAPK9MAPK10PIM1KDM4C
SCHEMBL5989088 0.78 KDM4E (0.43) HTR2AHTR2CSLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL905753 0.76 MAPK8 (0.56) MAPK8MAPK9MAPK10PIM1

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
WO-2000012482-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
CN-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 CN disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 CN 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 HTR2A 6/4885MAPK8 3756/4885MAPK9 4392/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885MAPK8 3756/4885MAPK9 4392/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885MAPK8 3756/4885MAPK9 4392/4885

“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.