SCHEMBL307690

SCHEMBL307690

O=C1N=CCc2c(I)cccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.39
F2 P00734 1/20 0.32
C1R P00736 1/20 0.32
PLG P00747 1/20 0.32
KLK1 P06870 1/20 0.32
PRSS1 P07477 1/20 0.32
C1S P09871 1/20 0.32
TDP2 O95551 1/20 0.32
PIM1 P11309 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK5 Q00535 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL4230483 0.78 CDK5 (0.49) C1RPIM1CSNK1A1CDK5ROCK1
SCHEMBL831827 0.78 PARP1 (0.46)
SCHEMBL215326 0.78 PARP1 (0.46) TYMSPIM1CSNK1A1DYRK1A
SCHEMBL9194801 0.78 PARP1 (0.46) TYMSCDK5
Hydrochloric Acid SCHEMBL5496370 0.76 PARP1 (0.45) TYMS
SCHEMBL4860239 0.75
SCHEMBL9194546 0.73 S100A4 (0.46) F2C1R
SCHEMBL9980468 0.70 MAPT (0.41)
SCHEMBL57213 0.68 CA12 (0.42) TDP2
SCHEMBL29824315 0.68 CA12 (0.42) TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 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 (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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TYMS 3824/4885F2 2856/4885C1R 1864/4885

“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.