SCHEMBL27211100

SCHEMBL27211100

FC1(F)CN(Cc2cc(Br)ccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CXCR4 P61073 1/20 0.35
ADRA1A P35348 1/20 0.33
CYP3A4 P08684 1/20 0.33
HRH1 P35367 1/20 0.33
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL31707012 0.88 CYP3A4 (0.37) KDM5CKDM4CCXCR4CYP3A4HRH1
SCHEMBL1722737 0.78 CXCR4 (0.50) KDM5CKDM4CCXCR4KDM4ESMN1; SMN2
SCHEMBL24214180 0.76 KDM4C (0.63) KDM5CKDM4CKDM4EALDH1A1
SCHEMBL15260294 0.74 MAP4K4 (0.37) CXCR4ADRA1ACYP3A4MAP4K4KDM4E
SCHEMBL24092361 0.74 KDM4E (0.45) KDM5CKDM4CCXCR4KDM4EALDH1A1
SCHEMBL6616735 0.74 CXCR4 (0.51) KDM5CKDM4CCXCR4ALDH1A1SMN1; SMN2
SCHEMBL24092307 0.71 SIGMAR1 (0.35) KDM5CKDM4CCXCR4KDM4EALDH1A1
SCHEMBL15094135 0.71 HRH1 (0.39) KDM5CKDM4CCXCR4HRH1KDM4E
SCHEMBL29898951 0.70
SCHEMBL2299751 0.70

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 KDM5C 3241/4885KDM4C 4361/4885CXCR4 1023/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 KDM5C 3241/4885KDM4C 4361/4885CXCR4 1023/4885

“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.