SCHEMBL21654802

SCHEMBL21654802

COc1ccccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 3/20 0.40
▸ AR P10275 1/20 0.40
▸ NFE2L2 Q16236 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL21654587 0.87 RAB9A (0.43) PTK2PARP1GAAMAPTTP53
SCHEMBL21654706 0.86 PTK2 (0.41) PTK2PARP1GAAMAPTLMNA
SCHEMBL20030403 0.83 PTK2 (0.44) PTK2PARP1MAPTSMN1; SMN2HPGD
SCHEMBL20030404 0.83 PTK2 (0.46) PTK2ARSMN1; SMN2HPGDLMNA
SCHEMBL21654602 0.82 PTK2 (0.43) PTK2PARP1MAPTSMN1; SMN2HPGD
SCHEMBL21654780 0.82 PTK2 (0.43) PTK2PARP1MAPTSMN1; SMN2HPGD
SCHEMBL21654542 0.82 PTK2 (0.40) PTK2MAPTTP53SMN1; SMN2HPGD
SCHEMBL21654707 0.82 L3MBTL1 (0.47) PTK2PARP1GAAMAPTHPGD
SCHEMBL21628113 0.80 PTK2 (0.41) PTK2SMN1; SMN2HPGDLMNANPC1
SCHEMBL21628108 0.80 PTK2 (0.41) PTK2SMN1; SMN2HPGDLMNANPC1

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 4377/4885PARP1 4665/4885GAA 186/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885PARP1 4619/4885GAA 284/4885

“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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