SCHEMBL9928617

SCHEMBL9928617

CC(=O)c1cc(F)cnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
NNMT P40261 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDR P35968 1/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
XPO1 O14980 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
KCNQ5 Q9NR82 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
SCHEMBL8357219 0.82 SCN5A (0.36) AGBL2GPBAR1SMN1; SMN2SCN5ASCN9A
SCHEMBL31349524 0.82 KEAP1 (0.53) AGBL2SMN1; SMN2SCN5ASCN9AKEAP1
SCHEMBL290570 0.82 KEAP1 (0.53) AGBL2SMN1; SMN2SCN5ASCN9AKEAP1
SCHEMBL27598069 0.82 KEAP1 (0.53) AGBL2SMN1; SMN2SCN5ASCN9AKEAP1
SCHEMBL4966985 0.82 ALDH1A1 (0.36) AGBL2GPBAR1SMN1; SMN2SCN5ASCN9A
SCHEMBL168694 0.81 CASP1 (0.42) SCN5ASCN9ANNMT
SCHEMBL9927092 0.80 SCN5A (0.36) AGBL2GPBAR1SMN1; SMN2SCN5ASCN9A
SCHEMBL2582436 0.80 OPRK1 (0.46) SMN1; SMN2SCN5ASCN9AKDM4ENPC1
SCHEMBL8312609 0.80 AGBL2 (0.39) AGBL2GPBAR1SMN1; SMN2SCN5ASCN9A
SCHEMBL16468484 0.80 AGBL2 (0.41) AGBL2SMN1; SMN2MAOBMAOAHCAR2

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
CN-117567461-A Preparation method of vitamin Li Xigu intermediate 佛山奕安赛医药科技有限公司 2024-02-20 CN claimed
WO-2025038462-A2 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2025-02-20 WO disclosed
WO-2025026266-A1 COMPOUND AS LPAR1 ANTAGONIST, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2025-02-06 WO disclosed
CN-113527298-B Macrocyclic lactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2025-01-03 CN disclosed
CN-117567461-A Preparation method of vitamin Li Xigu intermediate 佛山奕安赛医药科技有限公司 2024-02-20 CN disclosed
CN-113527298-A Macrocyclic lactam derivative, preparation method and application thereof 浙江海正药业股份有限公司 2021-10-22 CN disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 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 (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-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 AGBL2 2527/4885GPBAR1 4313/4885SMN1; SMN2 4468/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 AGBL2 2608/4885GPBAR1 4173/4885SMN1; SMN2 4536/4885

“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.