SCHEMBL2230799

SCHEMBL2230799

Oc1cccc(O)c1N=Nc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CCNT1 O60563 2/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ THRB P10828 2/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ ZAP70 P43403 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 2/20 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
SCHEMBL3678536 0.80 THRB (0.60) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL3487440 0.80 THRB (0.60) THRBMEN1KMT2AMAPTL3MBTL1
SCHEMBL29419851 0.79 LMNA (0.50) CDK2THRBMEN1KMT2AMAPT
SCHEMBL10596672 0.78 MEN1 (0.64) CDK2CCNE1MEN1KMT2AMAPT
SCHEMBL29746411 0.77 TDP1 (0.47) CDK2THRBMEN1KMT2AMAPT
SCHEMBL106526 0.76 CCNT1 (0.50) CDK1CDK2CCNT1CDK4CCNB1
SCHEMBL139295 0.76 CCNT1 (0.50) CDK1CDK2CCNT1CDK4CCNB1
SCHEMBL9657216 0.75 IDO1 (0.51) CDK1CDK2THRBMEN1KMT2A
SCHEMBL9657212 0.75 IDO1 (0.51) CDK1CDK2THRBMEN1KMT2A
SCHEMBL4349980 0.73 NPC1 (0.58) CDK1CDK2CCNT1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107540039-B Biomass-based two-aqueous-phase construction and method for purifying harmful substances in salt solution 大连理工大学 2020-06-16 — — CN disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 — — US disclosed
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 — — WO disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 — — WO disclosed
US-6022879-A TREATING AMYOTROPHIC LATERAL SCLEROSIS; NEOCUPROINE UAB RESEARCH FOUNDATION (US) 2000-02-08 — — US disclosed
WO-1999018958-A1 BATHOCUPROINE TREATMENT OF NEUROLOGIC DISEASE UAB RESEARCH FOUNDATION (US) 1999-04-22 — — WO disclosed
EP-0449969-B1 PHOTORESIST COMPOSITIONS CONTAINING COBALT (III) COMPOUND AND REDOX TRANSFER LIGAND EASTMAN KODAK CO (US) 1994-02-16 — — EP disclosed
EP-0449969-A1 PHOTORESIST COMPOSITIONS CONTAINING COBALT (III) COMPOUND AND REDOX TRANSFER LIGAND. EASTMAN KODAK CO (US) 1991-10-09 — — EP disclosed
US-4968586-A HIGH SPEED LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1990-11-06 — — US disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 — — CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer — 1987-01-21 — — 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 (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-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 CDK1 3897/4885CDK2 3384/4885CCNT1 4707/4885

“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.

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