SCHEMBL3783847

SCHEMBL3783847

NC(=O)Cc1cccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK8 P45983 5/20 0.47
MAPK9 P45984 5/20 0.47
MAPK10 P53779 5/20 0.47
NSD2 O96028 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.44
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL3775943 0.88 CYP1A2 (0.60) ALDH1A1LMNASMN1; SMN2CYP1A2MAPK9
SCHEMBL27851135 0.85 DHODH (0.47) GLSALDH1A1HTTCYP1A2MAPK8
SCHEMBL3720399 0.84 KDM4E (0.59) GLSALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3712126 0.83 KDM4E (0.57) GLSALDH1A1HTTLMNASMN1; SMN2
SCHEMBL29456254 0.79 MAPK8 (0.45) ALDH1A1LMNACYP1A2MEN1KMT2A
SCHEMBL6902980 0.79 MAPK8 (0.45) ALDH1A1LMNACYP1A2MEN1KMT2A
SCHEMBL28200282 0.79 MEN1 (0.50) GLSALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3782315 0.78 MAPK8 (0.46) CYP1A2MAPK8MAPK9MAPK10KDM4E
SCHEMBL3136413 0.77 KDM4E (0.56) GLSALDH1A1HTTLMNASMN1; SMN2
SCHEMBL1515657 0.77 KDM4E (0.44) ALDH1A1CYP1A2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321468-A Cationic iridium complex phosphorescene probe as well as preparation method and application thereof UNIV SHANGHAI 2012-01-18 CN claimed
CN-1330657-C Piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2007-08-08 CN claimed
CN-1451009-A Glucocortiocoid-selective antinflammatory agents ABBOTT LAB (US) 2003-10-22 CN claimed
CN-1119348-C glucocorticoid derivatives, compositions and uses thereof ABBOTT INC (US) 2003-08-27 CN claimed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN claimed
EP-1299392-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS Abbott Laboratories (US) 2003-04-09 EP claimed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2002002565-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO claimed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO claimed
CN-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN claimed
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 EP disclosed
US-20190231751-A1 TREATMENT OF FIBROTIC DISORDERS WITH JUN N-TERMINAL KINASE INHIBITORS IMAGO PHARMACEUTICALS, INC. 2019-08-01 US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 US disclosed
CN-1119348-C glucocorticoid derivatives, compositions and uses thereof ABBOTT INC (US) 2003-08-27 CN disclosed
CN-1436232-A Variants with altered properties NOVOZYMES AS (DK) 2003-08-13 CN disclosed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
CN-1422953-A Gene sequence of Japanese shistosome China mainland strain gynecophoric canal protein SHANGHAI DOMESTIC ANIMAL PARAS (CN) 2003-06-11 CN disclosed
CN-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN 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-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GLS 1841/4885ALDH1A1 4529/4885HTT 987/4885
US-20190231751-A1 TREATMENT OF FIBROTIC DISORDERS WITH JUN N-TERMINAL KINASE INHIBITORS MAP3K20, MYLK2, MAP3K8 GLS 242/4885ALDH1A1 4182/4885HTT 3501/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GLS 1841/4885ALDH1A1 4529/4885HTT 987/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 GLS 1841/4885ALDH1A1 4529/4885HTT 987/4885

“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.