SCHEMBL21654711

SCHEMBL21654711

Brc1cccc(Cc2nnc(/C=C/c3ccccc3-n3cccc3)o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.45
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ CYP11B1 P15538 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC9 Q9UKV0 2/20 0.31
▸ HDAC5 Q9UQL6 2/20 0.31
▸ HPGD P15428 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
SCHEMBL20030404 0.82 PTK2 (0.46) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654707 0.81 L3MBTL1 (0.47) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL20030403 0.80 PTK2 (0.44) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654712 0.79 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654804 0.79 PTK2 (0.41) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654780 0.79 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654602 0.79 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654802 0.79 PTK2 (0.43) PTK2NPC1RAB9AHPGDTSHR
SCHEMBL21654614 0.79 PTK2 (0.42) PTK2NPC1RAB9AL3MBTL1METAP2
SCHEMBL21654605 0.78 PTK2 (0.43) PTK2NPC1RAB9AL3MBTL1METAP2

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 4377/4885NPC1 295/4885RAB9A 236/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885NPC1 221/4885RAB9A 346/4885

“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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