SCHEMBL19225672

SCHEMBL19225672

CC(C)(C)Cc1csc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
LATS1 O95835 2/20 0.30
LATS2 Q9NRM7 2/20 0.30
ROCK2 O75116 2/20 0.30
PRKCH P24723 2/20 0.30
PRKCQ Q04759 2/20 0.30
ROCK1 Q13464 2/20 0.30
PKN1 Q16512 2/20 0.30
PKN2 Q16513 2/20 0.30
CCR4 P51679 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCD Q05655 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
SCHEMBL19225723 0.87 CYP2A6 (0.34) CYP2A6LATS1LATS2ROCK2PRKCH
SCHEMBL10285458 0.81 CYP2A6 (0.47) CYP2A6
SCHEMBL30459098 0.77 CYP2A6 (0.47) CYP2A6ROCK2
SCHEMBL30940058 0.77 CYP2A6 (0.58) CYP2A6ROCK2
SCHEMBL73676 0.75 CYP2A6 (0.60) CYP2A6
SCHEMBL25030031 0.74 HTR6 (0.52) CYP2A6
SCHEMBL10253539 0.74 CYP2A6 (0.47) CYP2A6LATS1LATS2ROCK2PRKCH
SCHEMBL25029772 0.71 CYP2A6 (0.39) CYP2A6LATS1LATS2
SCHEMBL14438020 0.71 CYP2A6 (0.51) CYP2A6
SCHEMBL30489352 0.70 AOC1 (0.39) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-02 US disclosed
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-10358453-B2 Antiviral compounds ALIOS BIOPHARMA, INC. (US) 2019-07-23 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-9724351-B2 Compounds for the treatment of paramoxyvirus viral infections ALIOS BIOPHARMA, INC. (US) 2017-08-08 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 (6 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 CYP2A6 4346/4885LATS1 3614/4885LATS2 3624/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 CYP2A6 4346/4885LATS1 3614/4885LATS2 3624/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 CYP2A6 4346/4885LATS1 3614/4885LATS2 3624/4885
US-10358453-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 CYP2A6 4346/4885LATS1 3614/4885LATS2 3624/4885
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof TGFBR1, TGFB2, TGFB1 CYP2A6 594/4885LATS1 965/4885LATS2 1631/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 CYP2A6 594/4885LATS1 965/4885LATS2 1631/4885

“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.