SCHEMBL3765456

SCHEMBL3765456

COC(=O)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 7/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPK8 P45983 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ SCD5 Q86SK9 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL31352749 0.90 KLKB1 (0.48) KLKB1L3MBTL1ALDH1A1HSD17B10
SCHEMBL553848 0.86 ALDH1A1 (0.60) KLKB1L3MBTL1ALDH1A1TDP1CREBBP
SCHEMBL17895755 0.86 L3MBTL1 (0.60) KLKB1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL29117303 0.86 GRM2 (0.61) KLKB1ALDH1A1POLBCREBBPKDM4E
SCHEMBL4785951 0.86 HSD17B10 (0.59) KLKB1L3MBTL1ALDH1A1POLBTDP1
SCHEMBL6426563 0.85 KLKB1 (0.53) KLKB1L3MBTL1ALDH1A1POLBTDP1
SCHEMBL31488288 0.84 NPC1 (0.62) KLKB1L3MBTL1ALDH1A1POLB
SCHEMBL30730185 0.84 POLB (0.62) L3MBTL1ALDH1A1POLBTDP1KDM4E
SCHEMBL28695464 0.83 KDM4E (0.47) L3MBTL1ALDH1A1KDM4E
SCHEMBL13692389 0.83 L3MBTL1 (0.54) KLKB1L3MBTL1ALDH1A1POLBTDP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286953-A1 METHODS AND INTERMEDIATES FOR PREPARING JAK INHIBITORS SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-09-14 — — US disclosed
US-20230286953-A1 METHODS AND INTERMEDIATES FOR PREPARING JAK INHIBITORS SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-09-14 — — US disclosed
US-20230286953-A1 METHODS AND INTERMEDIATES FOR PREPARING JAK INHIBITORS SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-09-14 — — US disclosed
CN-115989226-A Processes and intermediates for preparing JAK inhibitors 康塞特医药品有限公司 2023-04-18 — — CN disclosed
WO-2022006136-A1 METHODS AND INTERMEDIATES FOR PREPARING JAK INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2022-01-06 — — WO disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 — — CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 — — EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 — — US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 — — US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — EP disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 — — EP disclosed
CN-1910156-A Malononitrile compound as pesticide SUMITOMO CHEMICAL CO (JP) 2007-02-07 — — CN disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 — — EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 — — WO 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 KLKB1 2679/4885L3MBTL1 3366/4885MAPK8 4173/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KLKB1 2679/4885L3MBTL1 3366/4885MAPK8 4173/4885
US-20230286953-A1 METHODS AND INTERMEDIATES FOR PREPARING JAK INHIBITORS JAK2, JAK1, JAK3 KLKB1 1521/4885L3MBTL1 3076/4885MAPK8 133/4885
US-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 KLKB1 3914/4885L3MBTL1 285/4885MAPK8 2198/4885

“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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