SCHEMBL2519720

SCHEMBL2519720

CCOC(=O)c1cc2n(c1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PIK3CA P42336 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
Hydrochloric Acid SCHEMBL30782373 0.99 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL12211189 0.92 RAB9A (0.40) CA12CA1CA2CA7CA9
Trifluoroacetic Acid SCHEMBL2519975 0.92 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
Trifluoroacetic Acid SCHEMBL2522513 0.84 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL25318763 0.77 RAB9A (0.45) CA12CA1CA2CA7CA9
SCHEMBL2517943 0.76 CHRNB2 (0.38) SLC6A4PRKD3PRKD2
SCHEMBL12283967 0.76 CYP2C9 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2524424 0.74 PLK4 (0.43) CA12CA1CA2CA7CA9
SCHEMBL12271733 0.73 ALOX5 (0.43) CA12CA1CA2CA7CA9
SCHEMBL12211173 0.73 CA12 (0.39) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 — — EP disclosed
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 — — US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 — — US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 — — US disclosed
EP-4155308-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-03-29 — — EP disclosed
WO-2022012409-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-20 — — WO disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 CA12 3599/4885CA1 3061/4885CA2 919/4885
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CA12 1201/4885CA1 199/4885CA2 323/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CA12 1201/4885CA1 199/4885CA2 323/4885

“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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