SCHEMBL11218

SCHEMBL11218

Clc1ncnc2[nH]ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.61
RET P07949 1/20 0.61
PI4KA P42356 1/20 0.61
LRRK2 Q5S007 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
PDPK1 O15530 1/20 0.55
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
MKNK1 Q9BUB5 3/20 0.53
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGDS O60760 1/20 0.47
CYP1A2 P05177 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL2619226 0.78 RET (0.61) XDHRETPI4KALRRK2PI4K2B
SCHEMBL11363 0.76 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
SCHEMBL30763272 0.76 XDH (0.63) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29351045 0.76 XDH (1.00) XDHRETPI4KALRRK2PI4K2B
SCHEMBL28839743 0.76 XDH (0.63) XDHRETPI4KALRRK2PI4K2B
Hydrochloric Acid SCHEMBL1741653 0.74 XDH (0.96) XDHRETPI4KALRRK2PI4K2B
Tisopurine SCHEMBL93974 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
SCHEMBL15504523 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B
Hydrochloric Acid SCHEMBL14742346 0.74 XDH (0.96) XDHRETPI4KALRRK2PI4K2B
Allopurinol SCHEMBL4627 0.74 XDH (0.61) XDHRETPI4KALRRK2PI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650986-B Cinnamoyl amino pyrazolo [3,4-d ] pyrimidine compound, and preparation and application thereof 浙江工业大学 2024-07-30 CN claimed
CN-115557953-B N-phenylbenzoylamino pyrazolopyrimidine compound, and preparation and application thereof 浙江工业大学 2024-07-19 CN claimed
CN-117586267-A Preparation method of 4-bromopyrazole [3,4-D ] -pyrimidine 山东百启生物医药有限公司 2024-02-23 CN claimed
CN-115650986-A Cinnamyl amino pyrazolo [3,4-d ] pyrimidine compound and preparation and application thereof 浙江工业大学 2023-01-31 CN claimed
CN-115557953-A N-phenyl benzoyl amino pyrazolopyrimidine compound and preparation and application thereof 浙江工业大学 2023-01-03 CN claimed
CN-111848419-B (E) Synthesis method of (E) -4-hydroxy-3-methyl-2-butenylamine and zeatin 郑州猫眼农业科技有限公司 2021-11-23 CN claimed
CN-111848419-A (E) Synthesis method of (E) -4-hydroxy-3-methyl-2-butenylamine and zeatin 郑州猫眼农业科技有限公司 2020-10-30 CN claimed
CN-111606909-A Pyrazolopyrimidine compound, pharmaceutical composition thereof, preparation method and application 浙江大学 2020-09-01 CN claimed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US claimed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US claimed
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 EP claimed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO claimed
EP-1628979-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP claimed
WO-2004101568-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO claimed
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
CN-117586267-B Preparation method of 4-bromopyrazole [3,4-D ] -pyrimidine 山东百启生物医药有限公司 2026-05-01 CN disclosed
EP-4704829-A2 SUBSTITUTED BICYCLIC HETEROCYCLE COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2026-03-11 EP disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP disclosed
US-4087423-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-05-02 US disclosed
US-4053474-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 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 (1 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-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS XDH 143/4885RET 1971/4885PI4KA 982/4885

“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.