SCHEMBL17466028

SCHEMBL17466028

Cc1ccc(-c2nc3cc(C(F)(F)F)nnc3n2C)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.38
▸ ADRB2 P07550 3/20 0.35
▸ PDE2A O00408 5/20 0.34
▸ PDE10A Q9Y233 4/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL16064958 0.89 HSD11B1 (0.50) HSD11B1PDE2APDE10APTGS2GRM2
SCHEMBL17688769 0.84 HSD11B1 (0.41) HSD11B1PDE2APDE10APTGS2GRM2
SCHEMBL17466030 0.81 NPC1 (0.32) HSD11B1ADRB2MAPT
SCHEMBL17466031 0.80 DDR1 (0.37) ADRB2PDE2APTGS2PTGS1
SCHEMBL10280803 0.79 POLB (0.43) HSD11B1PDE2APDE10AMAPTGRM2
SCHEMBL19876978 0.75 CYP11B1 (0.39) HSD11B1PDE2APDE10APTGS2ADORA2A
SCHEMBL19876691 0.75 PDE2A (0.33) PDE2A
SCHEMBL29720545 0.75 PDE2A (0.33) PDE2A
SCHEMBL21730097 0.74 CDK9 (0.36) HSD11B1ADRB2PDE2APDE10AMAPT
SCHEMBL16064947 0.73 DDR1 (0.34) HSD11B1PDE2APDE10A

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-9936703-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2018-04-10 — — US disclosed
US-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2016-01-28 — — 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-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE H1-0, HDHD5, H1-3 HSD11B1 93/4885ADRB2 1224/4885PDE2A 1937/4885

“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.

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