SCHEMBL3687376

SCHEMBL3687376

Cn1cc(-c2cc(-c3ccccc3)cn3c(Cl)c(C(=O)O)nc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
MAP4K4 O95819 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.40
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
METAP2 P50579 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
BRD4 O60885 1/20 0.38
CHEK1 O14757 1/20 0.38
KDR P35968 1/20 0.37
PDK2 Q15119 1/20 0.37
AXL P30530 2/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
LCK P06239 1/20 0.36
BTK Q06187 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL3689479 0.83 CYP19A1 (0.43) IRAK4PIM1PIM2
SCHEMBL3699771 0.81 SMN1; SMN2 (0.44)
SCHEMBL3690129 0.80 AKT1 (0.41) IRAK4CHEK1
SCHEMBL3699155 0.80 SERPINE1 (0.36) CDK8
SCHEMBL3695641 0.78 AKR1C2 (0.41)
SCHEMBL3691389 0.78 PIM1 (0.38) GRM2IRAK4CCNCCDK8PIM1
SCHEMBL3684406 0.76 AKR1C4 (0.39)
SCHEMBL3643185 0.74 AKR1C2 (0.36)
SCHEMBL3689623 0.73 LDHA (0.43)
SCHEMBL3696360 0.71 BCL2L1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 GRM2 3624/4885MAP4K4 3167/4885IRAK4 3475/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 GRM2 3624/4885MAP4K4 3167/4885IRAK4 3475/4885

“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.