SCHEMBL21654811

SCHEMBL21654811

Fc1ccc(/C=C/c2nnc(Cc3cccc(C(F)(F)F)c3)o2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PTK2 Q05397 2/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.36
APLNR P35414 1/20 0.35
P2RX7 Q99572 1/20 0.34
MDM2 Q00987 1/20 0.34
PTGER1 P34995 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
SCHEMBL21654541 0.89 PTK2 (0.48) MAPTNPC1POLBSMN1; SMN2PTK2
SCHEMBL21654795 0.87 PTK2 (0.47) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL21654597 0.86 PTK2 (0.41) MAPTNPC1POLBPTK2THRB
SCHEMBL21654702 0.86 PTK2 (0.41) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL21654528 0.86 EGFR (0.42) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL21654642 0.85 PTK2 (0.45) MAPTRAB9ANPC1POLBPTK2
SCHEMBL21654807 0.85 PTK2 (0.37) MAPTPTK2THRBAPLNRP2RX7
SCHEMBL21654828 0.83 PTK2 (0.39) MAPTNPC1POLBPTK2THRB
SCHEMBL20030400 0.82 PTK2 (0.39) MAPTRAB9ANPC1POLBPTK2
SCHEMBL21654801 0.82 NPC1 (0.39) MAPTTDP1RAB9ANPC1POLB

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 KMT2A 959/4885MAPT 3619/4885TDP1 4126/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 KMT2A 756/4885MAPT 3439/4885TDP1 4289/4885

“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.