Sugi Predict

Sugi Predict / Compounds / SCHEMBL21654528

SCHEMBL21654528

SCHEMBL21654528

Fc1ccc(/C=C/c2nnc(Cc3ccccc3)o2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.42
▸ PTK2 Q05397 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ ERBB2 P04626 1/20 0.36

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 0.92 PTK2 (0.48) EGFRPTK2POLBNPC1SMN1; SMN2
SCHEMBL21654795 0.90 PTK2 (0.47) EGFRPTK2POLBNPC1RAB9A
SCHEMBL21654597 0.89 PTK2 (0.41) PTK2POLBNPC1MAPTLMNA
SCHEMBL21654702 0.89 PTK2 (0.41) PTK2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL21654763 0.88 NPC1 (0.41) EGFRPTK2POLBNPC1RAB9A
SCHEMBL21654642 0.88 PTK2 (0.45) EGFRPTK2POLBNPC1RAB9A
SCHEMBL21654505 0.88 PTK2 (0.38) EGFRPTK2POLBNPC1RAB9A
SCHEMBL21654801 0.87 NPC1 (0.39) PTK2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL21654530 0.86 NPC1 (0.41) EGFRPTK2POLBNPC1RAB9A
SCHEMBL21654805 0.86 NPC1 (0.36) PTK2POLBNPC1RAB9ASMN1; SMN2

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 EGFR 1489/4885PTK2 4377/4885POLB 2672/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 EGFR 1532/4885PTK2 4380/4885POLB 2728/4885

“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.