SCHEMBL20528241

SCHEMBL20528241

C[C@@H]1CCC(=O)N1c1cc(Br)cc(F)c1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
MAP4K1 Q92918 1/20 0.34
RAPGEF3 O95398 3/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.32
PER2 O15055 4/20 0.32
CRY2 Q49AN0 1/20 0.32
BRD4 O60885 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
HTR7 P34969 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
SCHEMBL18191684 1.00 PARP1 (0.39) PARP1MAP4K1RAPGEF3RAPGEF4MAPK1
SCHEMBL20528263 0.81 P2RX7 (0.31) P2RX7
SCHEMBL20528226 0.81
SCHEMBL18191725 0.81
SCHEMBL29686617 0.81 P2RX7 (0.31) P2RX7
SCHEMBL20528265 0.81 P2RX7 (0.31) P2RX7
SCHEMBL21522934 0.80 NOTUM (0.32)
SCHEMBL29687057 0.80 HDAC1 (0.39) P2RX7
SCHEMBL20528243 0.80 HDAC1 (0.39) P2RX7
SCHEMBL20528242 0.80 HDAC1 (0.39) P2RX7

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
EP-3288931-B2 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2022-07-20 EP disclosed
CN-107849012-B Kinase inhibitor 重庆复创医药研究有限公司 2021-05-25 CN disclosed
EP-3288931-B1 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2019-11-06 EP disclosed
US-10450316-B2 Certain protein kinase inhibitor Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2019-10-22 US disclosed
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR FOCHON BIOSCIENCES, LTD. (CN) 2018-10-11 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-10450316-B2 Certain protein kinase inhibitor CDK4, CDK6, CDK2 PARP1 709/4885MAP4K1 109/4885RAPGEF3 2322/4885
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR CDK4, CDK6, CDK2 PARP1 699/4885MAP4K1 144/4885RAPGEF3 1266/4885

“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.