SCHEMBL21654598

SCHEMBL21654598

FC(F)(F)c1ccc(Cl)c(/C=C/c2nnc(Cc3cccc(Br)c3)o2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ERBB2 P04626 2/20 0.35
HTT P42858 1/20 0.34
MTOR P42345 1/20 0.33
PTGER1 P34995 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE2A O00408 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TDO2 P48775 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
NR1H2 P55055 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
SCHEMBL21654648 0.87 PTK2 (0.41) PTK2KMT2AMAPTTDP1RAB9A
SCHEMBL21654596 0.86 PTK2 (0.40) PTK2MAPTRAB9ANPC1POLB
SCHEMBL21654712 0.81 PTK2 (0.43) PTK2KMT2AMAPTTDP1RAB9A
SCHEMBL21654642 0.80 PTK2 (0.45) PTK2MAPTRAB9ANPC1POLB
SCHEMBL21654539 0.80 PTK2 (0.47) PTK2KMT2AMAPTRAB9ANPC1
SCHEMBL21654646 0.79 PTK2 (0.46) PTK2KMT2AMAPTRAB9ANPC1
SCHEMBL21654688 0.79 PTK2 (0.41) PTK2MAPTRAB9ANPC1POLB
SCHEMBL21654811 0.78 KMT2A (0.42) PTK2KMT2AMAPTTDP1RAB9A
SCHEMBL21654703 0.78 PTK2 (0.41) PTK2KMT2AMAPTTDP1RAB9A
SCHEMBL21654812 0.78 PTK2 (0.42) PTK2MAPTRAB9ANPC1POLB

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 4377/4885KMT2A 959/4885MAPT 3619/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885KMT2A 756/4885MAPT 3439/4885

“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.