SCHEMBL21654539

SCHEMBL21654539

Clc1ccc(/C=C/c2nnc(Cc3cccc(Br)c3)o2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.47
EGFR P00533 4/20 0.40
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL21654646 0.90 PTK2 (0.46) PTK2EGFRKDM4EHPGDMAOB
SCHEMBL21654642 0.89 PTK2 (0.45) PTK2EGFRRAB9ANPC1L3MBTL1
SCHEMBL21654593 0.89 PTK2 (0.45) PTK2EGFRKDM4EHPGDTSHR
SCHEMBL21654596 0.82 PTK2 (0.40) PTK2RAB9ANPC1L3MBTL1LMNA
SCHEMBL21654795 0.82 PTK2 (0.47) PTK2EGFRRAB9ANPC1SMN1; SMN2
SCHEMBL21654688 0.81 PTK2 (0.41) PTK2EGFRHPGDTSHRMAPK1
SCHEMBL21654804 0.81 PTK2 (0.41) PTK2EGFRHPGDTSHRMAPK1
SCHEMBL21654797 0.80 PTK2 (0.44) PTK2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21654650 0.80 PTK2 (0.44) PTK2KDM4EHPGDMAOBTSHR
SCHEMBL21654812 0.80 PTK2 (0.42) PTK2HPGDTSHRMAPK1RAB9A

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 1489/4885KDM4E 3325/4885
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 1532/4885KDM4E 3277/4885

“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.