SCHEMBL26019795

SCHEMBL26019795

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.38
SLC6A4 P31645 10/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
WNT1 P04628 2/20 0.38
IDO1 P14902 2/20 0.36
SLC6A3 Q01959 1/20 0.36
DHFR P00374 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
EPHX2 P34913 1/20 0.34
P2RX7 Q99572 1/20 0.33

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 1.00 SLC6A2 (0.38) SLC6A2SLC6A4GSK3BDYRK1AWNT1
Hydrochloric Acid SCHEMBL28682527 0.99 IDO1 (0.38) SLC6A2SLC6A4GSK3BDYRK1AWNT1
SCHEMBL24176754 0.92 SLC6A2 (0.38) SLC6A2SLC6A4GSK3BDYRK1AWNT1
SCHEMBL29833333 0.90 SLC6A2 (0.40) SLC6A2SLC6A4IDO1SLC6A3DHFR
SCHEMBL24177156 0.90 SLC6A2 (0.40) SLC6A2SLC6A4IDO1SLC6A3DHFR
SCHEMBL24176683 0.89 TACR1 (0.40) SLC6A4GSK3BDYRK1AWNT1EPHX2
SCHEMBL26019983 0.88 HTR2C (0.33) SLC6A2SLC6A4GSK3BDYRK1AWNT1
SCHEMBL24176694 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL30866292 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL24176792 0.86 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317755-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-09-26 US disclosed
CN-114907408-B Heterocyclic compound, intermediate thereof, preparation method and application thereof 武汉朗来科技发展有限公司 2024-05-03 CN disclosed
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
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
CN-116731013-A Heterocyclic compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-09-12 CN 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
CN-114907408-A Heterocyclic compound, intermediate thereof, preparation method and application thereof 武汉朗来科技发展有限公司 2022-08-16 CN disclosed
WO-2022166817-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THERFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-08-11 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 (2 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
US-20240317755-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF CYP4A11, CYP4F11, CYP51A1 SLC6A2 421/4885SLC6A4 350/4885GSK3B 650/4885

“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.