SCHEMBL24915567

SCHEMBL24915567

OCc1ccn(CC(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NOTUM Q6P988 1/20 0.31
P2RX7 Q99572 1/20 0.31
CCR1 P32246 1/20 0.30

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
SCHEMBL31338942 0.80 LPAR1 (0.41) HDAC1HDAC7
SCHEMBL24915304 0.80 ACHE (0.33) P2RX7CCR1
SCHEMBL29701223 0.79 HDAC1 (0.33) HDAC1HDAC7LRRK2
SCHEMBL20306324 0.78 KCNH2 (0.33) KCNH2
Hydrochloric Acid SCHEMBL29701233 0.78 CACNA1G (0.33) HDAC1HDAC7LRRK2
SCHEMBL24335939 0.75 FYN (0.37) HDAC1LRRK2
SCHEMBL24915574 0.74 KDM4E (0.35) LRRK2
SCHEMBL16427332 0.73 MEN1 (0.33) LRRK2
SCHEMBL20456688 0.73 LRRK2 (0.32) LRRK2
SCHEMBL12610063 0.73 ALDH1A1 (0.51) LRRK2

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
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 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 (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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KCNH2 2494/4885HDAC1 4113/4885HDAC7 3277/4885

“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.