SCHEMBL21654593

SCHEMBL21654593

Fc1cc(Cl)ccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.45
EGFR P00533 2/20 0.39
RORC P51449 1/20 0.37
HPGD P15428 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21654539 0.89 PTK2 (0.47) PTK2EGFRHPGDTSHRMAPK1
SCHEMBL21654797 0.89 PTK2 (0.44) PTK2HPGDNPC1L3MBTL1RAB9A
SCHEMBL21654688 0.86 PTK2 (0.41) PTK2EGFRRORCHPGDTSHR
SCHEMBL21654615 0.85 PTK2 (0.45) PTK2EGFRHPGDNPC1L3MBTL1
SCHEMBL21654642 0.85 PTK2 (0.45) PTK2EGFRNPC1L3MBTL1RAB9A
SCHEMBL21654614 0.83 PTK2 (0.42) PTK2RORCHPGDTSHRNPC1
SCHEMBL21654596 0.83 PTK2 (0.40) PTK2NPC1L3MBTL1RAB9AMAPT
SCHEMBL20030398 0.82 PTK2 (0.44) PTK2HPGDNPC1L3MBTL1RAB9A
SCHEMBL21654592 0.82 PTK2 (0.46) PTK2EGFRNPC1RAB9AMAPT
SCHEMBL21654646 0.81 PTK2 (0.46) PTK2EGFRHPGDTSHRNPC1

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 4377/4885EGFR 1489/4885RORC 34/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885EGFR 1532/4885RORC 30/4885

“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.