SCHEMBL6837142

SCHEMBL6837142

CCOC(=O)c1nn(Cc2ccc(OC)cc2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.64
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TARBP2 Q15633 2/20 0.42
PDCD4 Q53EL6 1/20 0.42
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL369251 0.90 UCHL1 (0.53) UCHL1ALDH1A1SMN1; SMN2TUBB4ATUBB
SCHEMBL15182512 0.87 UCHL1 (0.52) UCHL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19730348 0.83 UCHL1 (0.46) UCHL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL369288 0.81 UCHL1 (0.49) UCHL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL15595830 0.81 UCHL1 (0.51) UCHL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3583470 0.79 SMN1; SMN2 (0.51) UCHL1ALDH1A1LMNATARBP2PDCD4
SCHEMBL370013 0.79 MAPT (0.46) UCHL1ALDH1A1LMNATARBP2PDCD4
SCHEMBL18387731 0.78 UCHL1 (1.00) UCHL1ALDH1A1LMNAMAPTTUBB4A
SCHEMBL23294430 0.77 UCHL1 (0.56) UCHL1ALDH1A1TARBP2PDCD4GABRA2
SCHEMBL19730351 0.77 UCHL1 (0.49) UCHL1ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018861-B Pyrrolopyrimidine compounds 正大天晴药业集团股份有限公司 2021-11-19 CN disclosed
EP-3235819-B1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL AS JAK INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2020-11-18 EP disclosed
CN-111018861-A Pyrrolopyrimidine compounds 正大天晴药业集团股份有限公司 2020-04-17 CN disclosed
US-10561657-B2 Pyrrolopyrimidine compound Centaurus Biophrama Co., Ltd. (CN) 2020-02-18 US disclosed
US-20190201403-A1 PYRROLOPYRIMIDINE COMPOUND LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2019-07-04 US disclosed
EP-3235819-A1 PYRROLOPYRIMIDINE COMPOUND Centaurus BioPharma Co., Ltd. (CN) 2017-10-25 EP disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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 (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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 UCHL1 3480/4885ALDH1A1 3550/4885LMNA 4751/4885
US-10561657-B2 Pyrrolopyrimidine compound JAK2, JAK1, JAK3 UCHL1 4606/4885ALDH1A1 1027/4885LMNA 4875/4885
US-20190201403-A1 PYRROLOPYRIMIDINE COMPOUND JAK2, JAK1, JAK3 UCHL1 4606/4885ALDH1A1 1027/4885LMNA 4875/4885

“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.