SCHEMBL21349339

SCHEMBL21349339

COC(=O)c1cc(C)nc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL21349700 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL26040460 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL21348932 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL31320124 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL21326570 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL30104719 0.81 ALDH1A1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL28906480 0.81 PLA2G2A (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31752906 0.80 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL30931812 0.77 PLA2G2A (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL21551592 0.77 PLA2G2A (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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-118221700-A Condensed ring aromatic compound, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-06-21 CN disclosed
CN-115867542-A Novel benzimidazole compounds 微境生物医药科技(上海)有限公司 2023-03-28 CN disclosed
CN-115304623-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-11-08 CN disclosed
WO-2022002100-A1 NOVEL BENZIMIDAZOLE COMPOUND 微境生物医药科技(上海)有限公司 2022-01-06 WO disclosed
CN-113880804-A Novel benzimidazole compounds 微境生物医药科技(上海)有限公司 2022-01-04 CN disclosed
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2021-03-16 US disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
EP-3535267-B1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-30 EP disclosed
US-20190276462-A1 [1,2,4]TRIAZOLO[1,5‐A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 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-20190276462-A1 [1,2,4]TRIAZOLO[1,5‐A]PYRIMIDINE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A KDM4E 1504/4885ALDH1A1 404/4885HPGD 399/4885
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A KDM4E 1414/4885ALDH1A1 317/4885HPGD 198/4885

“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.