SCHEMBL21654596

SCHEMBL21654596

Fc1ccc(Cl)c(/C=C/c2nnc(Cc3cccc(Br)c3)o2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.39
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
PTGER1 P34995 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL21654642 0.91 PTK2 (0.45) PTK2MAPTTHRBPOLBLMNA
SCHEMBL21654797 0.87 PTK2 (0.44) PTK2MAPTTHRBPOLBLMNA
SCHEMBL20030398 0.87 PTK2 (0.44) PTK2MAPTTHRBPOLBLMNA
SCHEMBL21654598 0.86 PTK2 (0.39) PTK2MAPTPOLBPTGER1NPC1
SCHEMBL21654590 0.85 PTK2 (0.43) PTK2MAPTTHRBPOLBLMNA
SCHEMBL21654812 0.84 PTK2 (0.42) PTK2MAPTTHRBPOLBLMNA
SCHEMBL21654688 0.83 PTK2 (0.41) PTK2MAPTTHRBPOLBLMNA
SCHEMBL21654703 0.83 PTK2 (0.41) PTK2MAPTTHRBPOLBLMNA
SCHEMBL21654537 0.83 PTK2 (0.44) PTK2THRBPOLBLMNATP53
SCHEMBL21654593 0.83 PTK2 (0.45) PTK2MAPTNPC1RAB9AL3MBTL1

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.