SCHEMBL21654592

SCHEMBL21654592

Fc1ccccc1/C=C/c1nnc(Cc2cccc(Cl)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.46
METAP2 P50579 1/20 0.43
NFE2L2 Q16236 6/20 0.40
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.36
PTGER1 P34995 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL21654795 0.84 PTK2 (0.47) PTK2EGFRMAPTPTGER1NPC1
SCHEMBL21654627 0.83 PTK2 (0.43) PTK2EGFRMAPTPTGER1NPC1
SCHEMBL21654593 0.82 PTK2 (0.45) PTK2METAP2EGFRMAPTNPC1
SCHEMBL21654688 0.81 PTK2 (0.41) PTK2METAP2EGFRMAPTNPC1
SCHEMBL21654614 0.78 PTK2 (0.42) PTK2METAP2NPC1RAB9ALMNA
SCHEMBL21654541 0.76 PTK2 (0.48) PTK2EGFRMAPTPTGER1NPC1
SCHEMBL20030394 0.76 METAP2 (0.35) PTK2METAP2EGFRMAPTNPC1
SCHEMBL21654615 0.75 PTK2 (0.45) PTK2METAP2EGFRMAPTNPC1
SCHEMBL21654528 0.75 EGFR (0.42) PTK2METAP2EGFRMAPTNPC1
SCHEMBL21654539 0.74 PTK2 (0.47) PTK2EGFRMAPTPTGER1NPC1

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 4377/4885METAP2 268/4885NFE2L2 3081/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885METAP2 270/4885NFE2L2 3113/4885

“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.