SCHEMBL1848993

SCHEMBL1848993

C1=C(c2c[nH]c3ncccc23)CCN(c2nc(-c3cccnc3)no2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 3/20 0.45
SLC6A4 P31645 3/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DYRK1A Q13627 4/20 0.42
ROCK1 Q13464 4/20 0.42
CHEK1 O14757 3/20 0.42
MAP4K4 O95819 3/20 0.42
PIM1 P11309 3/20 0.42
PRKACA P17612 3/20 0.42
CLK2 P49760 3/20 0.42
GSK3B P49841 3/20 0.42
CDK5 Q00535 3/20 0.42
PRKAA1 Q13131 3/20 0.42

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
SCHEMBL3613043 0.71 TMEM97 (0.43) TMEM97SIGMAR1HTR1ASLC6A4DRD2
SCHEMBL13064304 0.71 TMEM97 (0.59) TMEM97SIGMAR1HTR1ASLC6A4DRD2
SCHEMBL2064431 0.71 SLC6A4 (0.64) TMEM97SIGMAR1HTR1ASLC6A4ADRA1D
SCHEMBL13502652 0.70 SIGMAR1 (0.68) TMEM97SIGMAR1HTR1ASLC6A4DRD2
SCHEMBL856823 0.68 CDC7 (0.68) DYRK1AMAP4K4PIM1PRKACAGSK3B
SCHEMBL29869901 0.68 CDC7 (0.68) DYRK1AMAP4K4PIM1PRKACAGSK3B
SCHEMBL12506127 0.68 PPARA (0.52) PPARACHRNB2CHRNA5CHRNA4KDM4E
SCHEMBL3603169 0.67 TMEM97 (0.53) TMEM97SIGMAR1HTR1ASLC6A4DRD2
SCHEMBL2265068 0.67 CHEK1 (0.67) TMEM97SIGMAR1HTR1ASLC6A4DRD2
SCHEMBL18129791 0.66 CHEK1 (0.63) TMEM97SIGMAR1HTR1ASLC6A4DRD2

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
CN-102170883-A Compounds useful as inhibitors of protein kinases ABBOTT LAB 2011-08-31 CN claimed
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP claimed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO claimed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US claimed
CN-102170883-A Compounds useful as inhibitors of protein kinases ABBOTT LAB 2011-08-31 CN disclosed
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP disclosed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 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 (1 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-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA TMEM97 3606/4885SIGMAR1 2460/4885HTR1A 3865/4885

“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.