SCHEMBL315923

SCHEMBL315923

[CH2]Cn1ccc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
KMT2A Q03164 2/20 0.55
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR6 P50406 2/20 0.52
LMNA P02545 1/20 0.50
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLAU P00749 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3616878 0.83 CDK4 (0.76) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL11366447 0.81 CDK4 (1.00) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL4863420 0.79 CDK4 (0.78) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL945970 0.79 CDK4 (0.71) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL3477752 0.78 CDK4 (0.81) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1629560 0.77 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL13227451 0.77 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL3887125 0.77 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1616222 0.77 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL2076869 0.77 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629777-B1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-12-19 EP claimed
CN-107295799-A Parg inhibiting compounds 癌症研究科技有限公司 2017-10-24 CN claimed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US claimed
EP-2629777-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-28 EP claimed
WO-2012054364-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 WO claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
US-5049181-A Novel herbicidally active n-phenyl-azoles CIBA-GEIGY CORPORATION (US) 1991-09-17 US claimed
EP-0201735-B1 N-INDOLYLETHYL SULFON AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1990-09-12 EP claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
CN-112673095-A Plants containing elite event EE-GM5, and methods and kits for identifying said event in biological samples, and treatment thereof 巴斯夫农业种子解决方案美国有限责任公司 2021-04-16 CN disclosed
CN-112673096-A Plants containing elite event EE-GM4, and methods and kits for identifying said event in biological samples, and treatment thereof 巴斯夫农业种子解决方案美国有限责任公司 2021-04-16 CN disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0010735-A1 Maytansinoids, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-14 EP 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 (2 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CDK4 3572/4885CCND1 4246/4885KMT2A 3525/4885
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CDK4 273/4885CCND1 411/4885KMT2A 652/4885

“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.