SCHEMBL16729370

SCHEMBL16729370

Cc1c[nH]c2c(F)cc(C(F)(F)F)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.36
KIF11 P52732 2/20 0.34
REN P00797 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL18299455 0.87 KIF11 (0.37) KIF11RENRAPGEF4MEN1KMT2A
SCHEMBL13961213 0.81 KIF11 (0.33) KIF11RAPGEF4MEN1KMT2A
SCHEMBL2424043 0.81 KIF11 (0.33) KIF11RAPGEF4MEN1KMT2A
SCHEMBL16727201 0.77 GPR84 (0.40) GPR84RENRAPGEF4LMNAALDH1A1
SCHEMBL15730096 0.77 GPR84 (0.58) GPR84RENRAPGEF4LMNAALDH1A1
SCHEMBL16727195 0.74 AR (0.46) GPR84RENLMNAALDH1A1AR
SCHEMBL16727212 0.71 REN (0.41) GPR84RENLMNAKMT2AALDH1A1
SCHEMBL735122 0.69 KIF11 (0.54) KIF11MEN1KMT2AALDH1A1KDM4E
SCHEMBL12912376 0.68 RAPGEF4 (0.39) RAPGEF4MEN1KMT2APDE2A
SCHEMBL13550124 0.68 RAPGEF4 (0.39) RAPGEF4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 GPR84 314/4885KIF11 4135/4885REN 1623/4885

“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.