SCHEMBL19277997

SCHEMBL19277997

CC(C)(O)CC(=O)Nc1nc2ccc(C(F)(F)F)nc2n1-c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
TRPV1 Q8NER1 3/20 0.36
CNR1 P21554 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CSNK1D P48730 1/20 0.33
P2RX3 P56373 2/20 0.33
ACVR1 Q04771 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
NR1I2 O75469 1/20 0.33
RORC P51449 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
LMNA P02545 2/20 0.33
ACKR3 P25106 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL19277995 0.94 PDE2A (0.36) PDE2ATRPV1CNR1CSNK1DP2RX3
SCHEMBL19277990 0.86 GRM5 (0.41) PDE2ACNR1L3MBTL1CSNK1DP2RX3
SCHEMBL19278417 0.85 PDE2A (0.38) PDE2ATRPV1CSNK1DIRAK4LMNA
SCHEMBL19277983 0.85 PDE2A (0.35) PDE2ATRPV1CNR1CSNK1DP2RX3
SCHEMBL19278014 0.84 BRD4 (0.37) PDE2AL3MBTL1CSNK1D
SCHEMBL16084438 0.83 P2RX3 (0.39) PDE2ACNR1CSNK1DP2RX3ACVR1
SCHEMBL19278278 0.83 PDE2A (0.37) PDE2ACSNK1DP2RX3IRAK4LMNA
SCHEMBL19276150 0.82 KCNQ2 (0.43) L3MBTL1CSNK1DTP53MAPT
SCHEMBL19277821 0.82 PDE4B (0.38) PDE2ACSNK1DIRAK4LMNAPDE10A
SCHEMBL19278268 0.81 PTGS1 (0.35) PDE2ACSNK1DP2RX3IRAK4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 US disclosed
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-10851067-B2 Kv7 channel activators compositions and methods of use KNOPP BIOSCIENCES LLC (US) 2020-12-01 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 US disclosed
US-20190002464-A1 IMIDAZO[4,5-B]PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2019-01-03 US disclosed
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-08-24 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 (7 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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 PDE2A 1992/4885TRPV1 58/4885CNR1 1114/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 PDE2A 1992/4885TRPV1 58/4885CNR1 1114/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 PDE2A 1992/4885TRPV1 58/4885CNR1 1114/4885
US-20190002464-A1 IMIDAZO[4,5-B]PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 PDE2A 917/4885TRPV1 62/4885CNR1 353/4885
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 PDE2A 859/4885TRPV1 63/4885CNR1 355/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 PDE2A 1992/4885TRPV1 58/4885CNR1 1114/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 PDE2A 1992/4885TRPV1 58/4885CNR1 1114/4885

“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.