SCHEMBL12404757

SCHEMBL12404757

N#Cc1cc(F)c2c(c1)N(Cc1c[nH]cn1)CCO2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.33
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
LRRK2 Q5S007 1/20 0.31
PTGER3 P43115 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
SCHEMBL12474827 0.88 TNIK (0.30)
SCHEMBL12474944 0.87 TNIK (0.31) LRRK2
SCHEMBL12474957 0.86 AR (0.32)
SCHEMBL12405134 0.83 CSF1R (0.32) CSF1RCDK4CDK6PTGER3
SCHEMBL13386406 0.83 CDK4 (0.34) CSF1RCDK4CDK6PTGER3
SCHEMBL12404758 0.83 CSF1R (0.32) CSF1RCDK4CDK6PTGER3
SCHEMBL12473656 0.83 SCN5A (0.31) LRRK2
SCHEMBL12405593 0.80 CSF1R (0.31) CSF1RCDK4CDK6LRRK2PTGER3
SCHEMBL12405701 0.80 CDK4 (0.38) CSF1RCDK4CDK6PTGER3
SCHEMBL12404789 0.80 CSF1R (0.34) CSF1RCDK4CDK6PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
WO-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A CSF1R 1578/4885CDK4 4118/4885CDK6 4698/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A CSF1R 1578/4885CDK4 4118/4885CDK6 4698/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A CSF1R 1578/4885CDK4 4118/4885CDK6 4698/4885

“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.