SCHEMBL170488

SCHEMBL170488

c1cn2c3c(ccc2n1)OCC3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.34
CDK8 P49336 2/20 0.34
ROCK1 Q13464 2/20 0.34
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K2 Q12851 1/20 0.34
DYRK1A Q13627 1/20 0.34
AURKB Q96GD4 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MTNR1B P49286 1/20 0.32
OGA O60502 1/20 0.32
FLT1 P17948 1/20 0.31
CDK9 P50750 1/20 0.31
LIMK1 P53667 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL30589397 0.90 CHEK1 (0.33) DRD1CDK8ROCK1CHEK1MAP4K4
SCHEMBL11985517 0.68 CDK8 (0.40) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL122622 0.66 NTRK1 (0.44) MAP2K1MTNR1BCLK4
SCHEMBL400723 0.59 CLK4 (0.44) DRD1CDK8ROCK1CHEK1MAP4K4
SCHEMBL22490642 0.58 DYRK1A (0.40) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL10247 0.58 CDK8 (0.53) DRD1CDK8ROCK1CHEK1MAP4K4
SCHEMBL12677704 0.57 DRD1 (0.40) DRD1CDK8ROCK1CHEK1MAP4K4
Bromide SCHEMBL2265015 0.57 CDK8 (0.52) DRD1CDK8ROCK1CHEK1MAP4K4
SCHEMBL30178157 0.57 BRD9 (0.46) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL18319487 0.56 DYRK1A (0.38) CDK8ROCK1CHEK1MAP4K4CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 EP 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR DRD1 379/4885CDK8 1896/4885ROCK1 3984/4885

“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.