SCHEMBL21341336

SCHEMBL21341336

CC(C)(C)c1ccc2cc(C(C)(C)C)n(CC(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CCR9 P51686 8/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ DNMT1 P26358 3/20 0.32
▸ CFTR P13569 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP26A1 O43174 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21341612 0.83 CCR9 (0.39) KCNH2HDAC10HDAC6CCR9NR1I2
SCHEMBL21341616 0.81 CCR9 (0.38) KCNH2HDAC10HDAC6CCR9NR1I2
SCHEMBL21341334 0.77 CCR9 (0.39) KCNH2HDAC10HDAC6CCR9NR1I2
SCHEMBL21341614 0.76 KCNH2 (0.38) KCNH2HDAC10HDAC6MEN1KMT2A
SCHEMBL24943811 0.75 CCR9 (0.38) HDAC10HDAC6CCR9NR1I2KDM4E
SCHEMBL20618779 0.75 KDM4E (0.39) KCNH2HDAC10HDAC6CCR9NR1I2
SCHEMBL24630637 0.73 CCR9 (0.37) KCNH2CCR9ALDH1A1HPGDALOX15
SCHEMBL20618778 0.72 KCNH2 (0.41) KCNH2HDAC10HDAC6CCR9NR1I2
SCHEMBL21341613 0.71 DHFR (0.45) KCNH2CCR9MEN1KMT2AALDH1A1
SCHEMBL21341470 0.71 HDAC10 (0.39) HDAC10HDAC6CCR9NR1I2CYP26A1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KCNH2 4406/4885HDAC10 2327/4885HDAC6 787/4885
US-11130749-B2 — ROCK1, RHOA, ROCK2 KCNH2 4410/4885HDAC10 1747/4885HDAC6 279/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA KCNH2 4406/4885HDAC10 2327/4885HDAC6 787/4885

“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.

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