SCHEMBL21654542

SCHEMBL21654542

COC(=O)c1ccccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL21654605 0.88 PTK2 (0.43) PTK2MAPTPOLBKMT2ASMN1; SMN2
SCHEMBL21654802 0.82 PTK2 (0.43) PTK2MAPTPOLBSMN1; SMN2HPGD
SCHEMBL20030403 0.81 PTK2 (0.44) PTK2MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL20030404 0.81 PTK2 (0.46) PTK2SMN1; SMN2HPGDTSHRLMNA
SCHEMBL21654780 0.78 PTK2 (0.43) PTK2MAPTSMN1; SMN2HPGDTSHR
SCHEMBL21654602 0.78 PTK2 (0.43) PTK2MAPTSMN1; SMN2HPGDTSHR
SCHEMBL21654707 0.78 L3MBTL1 (0.47) PTK2MAPTALDH1A1HPGDKDM4E
SCHEMBL21628113 0.76 PTK2 (0.41) PTK2HTTKMT2ASMN1; SMN2HPGD
SCHEMBL21628108 0.76 PTK2 (0.41) PTK2HTTKMT2ASMN1; SMN2HPGD
SCHEMBL21654712 0.76 PTK2 (0.43) PTK2MAPTPOLBKMT2ASMN1; SMN2

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 3619/4885POLB 2672/4885
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 3439/4885POLB 2728/4885

“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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