SCHEMBL2076869

SCHEMBL2076869

OCn1ccc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.55
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR6 P50406 1/20 0.52
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PLAU P00749 1/20 0.49
AGER Q15109 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL30342074 1.00 CDK4 (0.68) CDK4CCND1KMT2ALMNAHTR2A
Pyrrolidine SCHEMBL3186238 0.86 CDK4 (0.52) CDK4CCND1KMT2ALMNAHTR2A
Piperidine SCHEMBL3175683 0.84 CDK4 (0.50) CDK4CCND1KMT2ALMNAHTR2A
SCHEMBL734246 0.83 CDK4 (0.76) CDK4CCND1KMT2ALMNAHTR2A
SCHEMBL30063707 0.83 CDK4 (0.76) CDK4CCND1KMT2ALMNAHTR2A
SCHEMBL11366447 0.81 CDK4 (1.00) CDK4CCND1KMT2ALMNAHTR2A
SCHEMBL30701168 0.79 CDK4 (0.78) CDK4CCND1KMT2ALMNAHTR2A
SCHEMBL4992403 0.79 CDK4 (0.78) CDK4CCND1KMT2ALMNAHTR2A
SCHEMBL945970 0.79 CDK4 (0.71) CDK4CCND1KMT2ALMNAHTR2A
Alcohol SCHEMBL734139 0.78 CDK4 (0.68) CDK4CCND1KMT2ALMNAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118696035-A Spiropiperidyl derivatives as complement factor B inhibitors and their use 诺华股份有限公司 2024-09-24 CN disclosed
CN-109689111-B Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof 基因泰克公司 2024-04-05 CN disclosed
CN-110526903-A Bisindole maleimide derivative and its preparation method and application OCEAN UNIV CHINA 2019-12-03 CN disclosed
CN-110218206-A Bisindole maleimide derivative and its preparation method and application 中国海洋大学 2019-09-10 CN disclosed
CN-106083830-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2019-07-12 CN disclosed
CN-106146475-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2019-05-17 CN disclosed
US-10174005-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2019-01-08 US disclosed
US-9969685-B2 Enantioselective synthesis of pyrroloindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-15 US disclosed
WO-2018064094-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-05 WO disclosed
US-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
WO-2007021897-A1 ANALOGS OF SALINOSPORAMIDE A PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-22 WO disclosed
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBVIE INC. 2007-02-15 US disclosed
WO-2006069196-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-06-29 WO disclosed
US-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 US disclosed
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 US disclosed
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 EP disclosed
US-4118395-A Method for the production of indolyl lactones FRANTSITS WERNER J 1978-10-03 US disclosed
US-3996241-A 2-Hydroxymethyl indole compounds and blood sugar lowering compositions BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-07 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-10174005-B2 Fused pyrimidines as inhibitors of p97 complex WDR77, POP1, PSMG3 CDK4 1733/4885CCND1 2265/4885KMT2A 3453/4885
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants CNR2, CNR1, TRPV1 CDK4 1597/4885CCND1 3101/4885KMT2A 3322/4885
US-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS PCNA, POLR2E, POLL CDK4 706/4885CCND1 203/4885KMT2A 2283/4885

“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.