SCHEMBL21654818

SCHEMBL21654818

Fc1ccc(CCc2nnc(Cc3cccc(Br)c3)o2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.45
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.39
GRM2 Q14416 1/20 0.38
NPC1 O15118 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PTGER1 P34995 1/20 0.38
CLPP Q16740 1/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21654685 0.82 NPC1 (0.39) PTK2MAPTTHRBGRM2NPC1
SCHEMBL21654820 0.78 NPC1 (0.39) MAPTNPC1POLBPTGER1CLPP
SCHEMBL21654642 0.76 PTK2 (0.45) PTK2MAPTTHRBNPC1LMNA
SCHEMBL21654596 0.74 PTK2 (0.40) PTK2MAPTTHRBNPC1LMNA
SCHEMBL21654812 0.74 PTK2 (0.42) PTK2MAPTTHRBNPC1LMNA
SCHEMBL21654538 0.73 PTK2 (0.35) PTK2NPC1RAB9AL3MBTL1
SCHEMBL21654543 0.73 PFKFB3 (0.41) PTK2MAPTTHRBLMNAPOLB
SCHEMBL21654664 0.73 MAPT (0.56) MAPTTHRBLMNAPOLBCLPP
SCHEMBL21654771 0.73 PTK2 (0.48) PTK2MAPTNPC1RAB9AL3MBTL1
SCHEMBL21654607 0.71 PTK2 (0.40) PTK2MAPTTHRBNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4377/4885MAPT 3619/4885THRB 3206/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885MAPT 3439/4885THRB 3183/4885

“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.