SCHEMBL905773

SCHEMBL905773

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.40
JAK2 O60674 4/20 0.39
HTR2A P28223 3/20 0.38
CHEK1 O14757 1/20 0.36
JAK1 P23458 2/20 0.34
LMNA P02545 1/20 0.34
MAP3K14 Q99558 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NOS1 P29475 1/20 0.33
GSK3B P49841 1/20 0.33
CSF1R P07333 1/20 0.33
MCHR1 Q99705 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
SCHEMBL905992 0.82 PDPK1 (0.54) FADS1JAK2HTR2ACHEK1LMNA
SCHEMBL906085 0.79 ALDH1A1 (0.44) FADS1HTR2ACYP1A2HPGD
SCHEMBL17229811 0.79 FADS1 (0.45) FADS1JAK2HTR2ACHEK1LMNA
SCHEMBL5989962 0.78 KDM4E (0.48) CYP1A2GAAHPGD
SCHEMBL27750998 0.76 FADS1 (0.43) FADS1JAK2HTR2ACHEK1JAK1
SCHEMBL482445 0.71 JAK2 (0.67) FADS1JAK2HTR2AJAK1GAA
SCHEMBL905771 0.70 HTR2A (0.55) FADS1JAK2HTR2ACHEK1GSK3B
SCHEMBL13122049 0.70 FADS1 (0.49) FADS1JAK2HTR2ACHEK1LMNA
SCHEMBL11480647 0.69 KDM4E (0.43) FADS1GSK3B
SCHEMBL905752 0.69 MAPK8 (0.41) HTR2A

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 FADS1 2514/4885JAK2 3380/4885HTR2A 6/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C FADS1 2514/4885JAK2 3380/4885HTR2A 6/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C FADS1 2514/4885JAK2 3380/4885HTR2A 6/4885

“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.