SCHEMBL24176754

SCHEMBL24176754

Fc1ccc(C(F)(F)F)c(Cc2cnc3n2CCNC3)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
GSK3B P49841 3/20 0.37
DYRK1A Q13627 3/20 0.37
WNT1 P04628 2/20 0.37
EPHX2 P34913 1/20 0.34
TRPC5 Q9UL62 2/20 0.33
TGFBR1 P36897 1/20 0.33
P2RX7 Q99572 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALK Q9UM73 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MGLL Q99685 1/20 0.32
NCF1 P14598 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
SCHEMBL30603338 0.92 SLC6A2 (0.38) SLC6A2SLC6A4GSK3BDYRK1AWNT1
SCHEMBL26019795 0.92 SLC6A2 (0.38) SLC6A2SLC6A4GSK3BDYRK1AWNT1
Hydrochloric Acid SCHEMBL28682527 0.91 IDO1 (0.38) SLC6A2SLC6A4GSK3BDYRK1AWNT1
SCHEMBL30866292 0.87 SLC6A2 (0.43) SLC6A2SLC6A4EPHX2CYP1A2CYP2C19
SCHEMBL24176694 0.87 SLC6A2 (0.43) SLC6A2SLC6A4EPHX2CYP1A2CYP2C19
SCHEMBL24176683 0.83 TACR1 (0.40) SLC6A4GSK3BDYRK1AWNT1EPHX2
SCHEMBL24177156 0.82 SLC6A2 (0.40) SLC6A2SLC6A4EPHX2TRPC5
SCHEMBL29833333 0.82 SLC6A2 (0.40) SLC6A2SLC6A4EPHX2TRPC5
SCHEMBL26019983 0.82 HTR2C (0.33) SLC6A2SLC6A4GSK3BDYRK1AWNT1
SCHEMBL24176792 0.80 DDR1 (0.37) GSK3BDYRK1AWNT1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289846-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-12-13 EP disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 EP disclosed
WO-2022001767-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-06 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 SLC6A2 576/4885SLC6A4 208/4885GSK3B 2550/4885

“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.