SCHEMBL905752

SCHEMBL905752

C[CH]C(N)c1nn(C)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.41
KDM4C Q9H3R0 1/20 0.36
MAPK9 P45984 6/20 0.36
KDM4E B2RXH2 2/20 0.35
HCRTR1 O43613 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPK10 P53779 5/20 0.34
PIM1 P11309 2/20 0.33
NTRK3 Q16288 2/20 0.33
DYRK3 O43781 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIM3 Q86V86 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL905872 0.83 KDM4E (0.36) MAPK8KDM4EHCRTR1MAPTCASP1
SCHEMBL905833 0.80 HSD17B10 (0.40) KDM4EMAPTNAMPTHTR2AHTR2C
SCHEMBL13106495 0.73 MAPK8 (0.41) MAPK8KDM4CMAPK9KDM4EHCRTR1
SCHEMBL8138711 0.72 MAPK8 (0.42) MAPK8KDM4CMAPK9KDM4EMAPT
SCHEMBL18527313 0.71 KDM4C (0.38) MAPK8KDM4CMAPK9KDM4EHCRTR1
SCHEMBL18527311 0.71 KDM4C (0.38) MAPK8KDM4CMAPK9KDM4EHCRTR1
SCHEMBL13106226 0.71 ADORA2A (0.59) MAPK8KDM4CMAPK9KDM4EHCRTR1
SCHEMBL905751 0.71 HTR2A (0.43) MAPK8KDM4CMAPK9MAPK10PIM1
SCHEMBL16881243 0.70 MAPK8 (0.49) MAPK8KDM4CMAPK9KDM4EHCRTR1
SCHEMBL14077460 0.69 MAPK8 (0.41) MAPK8KDM4CMAPK9KDM4EHCRTR1

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 8 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
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 MAPK8 3756/4885KDM4C 549/4885MAPK9 4392/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C MAPK8 3756/4885KDM4C 549/4885MAPK9 4392/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C MAPK8 3756/4885KDM4C 549/4885MAPK9 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.