SCHEMBL21654590

SCHEMBL21654590

Cc1cc(F)ccc1/C=C/c1nnc(Cc2cccc(Br)c2)o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.43
POLB P06746 4/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
PRNP P04156 1/20 0.34
PTGER1 P34995 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL21654650 0.89 PTK2 (0.44) PTK2POLBTP53LMNAMAPT
SCHEMBL21654797 0.89 PTK2 (0.44) PTK2POLBTP53THRBLMNA
SCHEMBL20030398 0.89 PTK2 (0.44) PTK2POLBTP53THRBLMNA
SCHEMBL21654648 0.87 PTK2 (0.41) PTK2POLBMAPTPTGER1HPGD
SCHEMBL21654699 0.87 PTK2 (0.41) PTK2POLBTP53THRBLMNA
SCHEMBL21654642 0.87 PTK2 (0.45) PTK2POLBTP53THRBLMNA
SCHEMBL21654816 0.86 PTK2 (0.41) PTK2POLBTP53THRBLMNA
SCHEMBL21654703 0.85 PTK2 (0.41) PTK2POLBTP53THRBLMNA
SCHEMBL21654596 0.85 PTK2 (0.40) PTK2POLBTP53THRBLMNA
SCHEMBL21654537 0.83 PTK2 (0.44) PTK2POLBTP53THRBLMNA

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 4377/4885POLB 2672/4885TP53 3268/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 PTK2 4380/4885POLB 2728/4885TP53 3323/4885

“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.