SCHEMBL21654706

SCHEMBL21654706

FC(F)(F)Oc1ccccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.41
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ METAP2 P50579 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ PARP1 P09874 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PTGES2 Q9H7Z7 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ THRB P10828 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
SCHEMBL21654802 0.86 PTK2 (0.43) PTK2NPC1RAB9ALMNANPSR1
SCHEMBL21654712 0.84 PTK2 (0.43) PTK2L3MBTL1NPC1RAB9ALMNA
SCHEMBL20030404 0.80 PTK2 (0.46) PTK2L3MBTL1NPC1RAB9ALMNA
SCHEMBL21654707 0.79 L3MBTL1 (0.47) PTK2L3MBTL1NPC1RAB9ANPSR1
SCHEMBL21654614 0.79 PTK2 (0.42) PTK2L3MBTL1NPC1RAB9ALMNA
SCHEMBL21654703 0.79 PTK2 (0.41) PTK2L3MBTL1NPC1RAB9ALMNA
SCHEMBL20030398 0.78 PTK2 (0.44) PTK2MAOBL3MBTL1NPC1RAB9A
SCHEMBL21654797 0.78 PTK2 (0.44) PTK2L3MBTL1NPC1RAB9ALMNA
SCHEMBL20030403 0.78 PTK2 (0.44) PTK2L3MBTL1NPC1RAB9ALMNA
SCHEMBL21654780 0.78 PTK2 (0.43) PTK2L3MBTL1NPC1RAB9ALMNA

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 4377/4885MAOA 1503/4885MAOB 2639/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885MAOA 1723/4885MAOB 2814/4885

“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.

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