SCHEMBL21101466

SCHEMBL21101466

CC(C)(C)c1ccc2c(Cl)c(C(C)(C)C)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.54
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ RET P07949 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ PLK4 O00444 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
SCHEMBL21100920 0.80 KIF11 (0.56) KIF11SCN10AKCNH2MAPTMEN1
SCHEMBL29539315 0.78 KIF11 (0.81) KIF11SCN10AKCNH2MAPTALDH1A1
SCHEMBL2606005 0.78 KIF11 (0.81) KIF11SCN10AKCNH2MAPTALDH1A1
Bromide SCHEMBL30567841 0.77 KIF11 (0.78) KIF11SCN10AKCNH2MAPTALDH1A1
SCHEMBL26262429 0.76 CHRNB2 (0.56) KIF11RETMAPTMEN1KMT2A
SCHEMBL12500957 0.72 KIF11 (0.65) KIF11MAPTMEN1KMT2AHPGD
SCHEMBL23327761 0.72 KIF11 (0.76) KIF11CHUK
SCHEMBL31228901 0.72 KIF11 (0.76) KIF11CHUK
SCHEMBL30881120 0.72 KIF11 (0.76) KIF11CHUK
SCHEMBL31369143 0.72 KIF11 (0.65) KIF11SCN10AKCNH2MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 — — US disclosed
US-11130749-B2 — — 2021-09-28 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 — — 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 (4 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KIF11 800/4885SCN10A 3860/4885KCNH2 4406/4885
US-11130749-B2 — ROCK1, RHOA, ROCK2 KIF11 758/4885SCN10A 3496/4885KCNH2 4410/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 KIF11 1092/4885SCN10A 4018/4885KCNH2 4517/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KIF11 800/4885SCN10A 3860/4885KCNH2 4406/4885

“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.

Send feedback