SCHEMBL8259093

SCHEMBL8259093

Cn1nnc2cc(F)cnc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
KEAP1 Q14145 1/20 0.34
MAPT P10636 1/20 0.34
CHRM4 P08173 1/20 0.32
RAB9A P51151 1/20 0.31
HCAR3 P49019 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ATM Q13315 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
SPR P35270 1/20 0.30
POLB P06746 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
SCHEMBL7921137 0.80 SLC9A1 (0.36) SLC9A1KEAP1MAPTRAB9AHCAR3
SCHEMBL3513250 0.77 HSD17B10 (0.44) SLC9A1KEAP1MAPTHCAR3ATM
SCHEMBL14085367 0.77 MAPK14 (0.39) HCAR3ATMCLK1DYRK1A
SCHEMBL19836260 0.74 HRH3 (0.37) SLC9A1KEAP1MAPTRXRAGRIN1
SCHEMBL17694869 0.74 PDE2A (0.35) SLC9A1KEAP1
SCHEMBL14820272 0.74 KDM4E (0.35) SLC9A1KEAP1MAPTRAB9A
SCHEMBL12890492 0.70 BRD4 (0.36) SLC9A1KEAP1MAPTRAB9A
SCHEMBL14805639 0.70 KDM4E (0.35) SLC9A1KEAP1MAPTRAB9APOLB
SCHEMBL18193686 0.70 HSD17B10 (0.38) MAPTRAB9ARXRAGRIN1GRIN2B
SCHEMBL12775638 0.69 ADA (0.39) SLC9A1KEAP1MAPT

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SLC9A1 681/4885KEAP1 1082/4885MAPT 4528/4885

“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.