SCHEMBL24409334

SCHEMBL24409334

O=Cc1ccc(-n2cc(F)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.51
KCNJ1 P48048 2/20 0.49
MTOR P42345 1/20 0.41
RPTOR Q8N122 1/20 0.41
MLST8 Q9BVC4 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDO2 P48775 1/20 0.38
HPGDS O60760 1/20 0.36
ALKBH2 Q6NS38 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1990298 0.84 MTOR (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL28938104 0.84 MTOR (0.37) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL11901262 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL15332503 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL6876042 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL15329666 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL29935788 0.80 KAT6A (0.44) ALDH1A1KDM4ESMN1; SMN2MAPK1MTOR
SCHEMBL23501178 0.77 KCNJ1 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL11901066 0.77 TDO2 (0.47) ALDH1A1KDM4EMAPK1MTORRPTOR
SCHEMBL21262496 0.77 MAPT (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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-117327078-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-02 CN disclosed
CN-117263945-A Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-113316578-B Heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-31 CN disclosed
US-20230295174-A1 SALT AND CRYSTAL FORM OF PYRIMIDINE COMPOUND, AND PREPARATION METHODS THEREFOR ELLIPSES PHARMA LTD (GB) 2023-09-21 US disclosed
US-20230295174-A1 SALT AND CRYSTAL FORM OF PYRIMIDINE COMPOUND, AND PREPARATION METHODS THEREFOR ELLIPSES PHARMA LTD (GB) 2023-09-21 US disclosed
US-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 US disclosed
US-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 US disclosed
EP-3929198-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-12-29 EP disclosed
CN-113316578-A Heterocyclic compounds, pharmaceutical compositions containing them, processes for their preparation and their use 四川科伦博泰生物医药股份有限公司 2021-08-27 CN 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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF NOTUM, FURIN, CYP4A11 ALDH1A1 644/4885KDM4E 3993/4885SMN1; SMN2 2630/4885
US-20230295174-A1 SALT AND CRYSTAL FORM OF PYRIMIDINE COMPOUND, AND PREPARATION METHODS THEREFOR WEE1, TYMP, TYMS ALDH1A1 2148/4885KDM4E 3448/4885SMN1; SMN2 4100/4885

“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.