SCHEMBL21654692

SCHEMBL21654692

Brc1cccc(Cc2nnc(/C=C/c3cccc4cccnc34)o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.41
▸ BACE1 P56817 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MET P08581 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 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
SCHEMBL21628108 0.87 PTK2 (0.41) PTK2HPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL21628113 0.87 PTK2 (0.41) PTK2HPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL21654804 0.87 PTK2 (0.41) PTK2HPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL21654821 0.85 PTK2 (0.44) PTK2KDM4EALDH1A1HPGDMAPT
SCHEMBL21654707 0.84 L3MBTL1 (0.47) PTK2KDM4EALDH1A1HPGDMAPT
SCHEMBL21654549 0.82 PTK2 (0.39) PTK2KDM4EALDH1A1HPGDMAPT
SCHEMBL20030404 0.81 PTK2 (0.46) PTK2KDM4EHPGDSMN1; SMN2HDAC4
SCHEMBL21654614 0.80 PTK2 (0.42) PTK2HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL20030403 0.79 PTK2 (0.44) PTK2HPGDMAPTSMN1; SMN2HDAC4
SCHEMBL21654780 0.78 PTK2 (0.43) PTK2HPGDMAPTSMN1; SMN2L3MBTL1

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 4377/4885BACE1 2133/4885KDM4E 3325/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885BACE1 1845/4885KDM4E 3277/4885

“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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