SCHEMBL21654537

SCHEMBL21654537

Fc1ccc(/C=C/c2nnc(Cc3cccc(Br)c3)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.44
HPGD P15428 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
THRB P10828 2/20 0.40
METAP2 P50579 3/20 0.40
NFE2L2 Q16236 1/20 0.37
ESR1 P03372 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 3/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 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
SCHEMBL21654644 0.88 PTK2 (0.42) PTK2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21654674 0.85 PTK2 (0.42) PTK2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL20030398 0.85 PTK2 (0.44) PTK2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21654797 0.85 PTK2 (0.44) PTK2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21654806 0.84 PTK2 (0.43) PTK2RAB9ANPC1THRBMETAP2
SCHEMBL21654551 0.83 PTK2 (0.45) PTK2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL21654596 0.83 PTK2 (0.40) PTK2RAB9ANPC1THRBMETAP2
SCHEMBL21654590 0.83 PTK2 (0.43) PTK2HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21654642 0.83 PTK2 (0.45) PTK2RAB9ANPC1THRBL3MBTL1
SCHEMBL21654812 0.82 PTK2 (0.42) PTK2HPGDRAB9ANPC1THRB

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 4377/4885HPGD 4213/4885RAB9A 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 4380/4885HPGD 3730/4885RAB9A 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.