SCHEMBL7036361

SCHEMBL7036361

NCc1ccnc(-c2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 11/20 0.56
▸ KDM4E B2RXH2 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ CCR1 P32246 3/20 0.54
▸ CCR5 P51681 3/20 0.54
▸ CCR8 P51685 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ METAP1 P53582 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ DOHH Q9BU89 1/20 0.54
▸ P4HTM Q9NXG6 1/20 0.54
▸ LOX P28300 5/20 0.51
▸ LOXL3 P58215 1/20 0.50
▸ KDM6B O15054 1/20 0.47
▸ KDM4A O75164 1/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM2A Q9Y2K7 1/20 0.47

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
SCHEMBL30485802 1.00 LOXL2 (0.56) LOXL2KDM4ELMNACCR1CCR5
SCHEMBL352525 0.88 LOXL2 (0.61) LOXL2CCR1CCR5CCR8LOX
Dipyridyl SCHEMBL8102799 0.83 CCR1 (0.45) LOXL2KDM4ELMNACCR1CCR5
SCHEMBL5991845 0.81 LOXL2 (0.70) LOXL2LOXLOXL3HSP90AA1
SCHEMBL28416719 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7037544 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4535559 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29603676 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL7605142 0.79 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2696099 0.78 HRH3 (0.56) LOXL2KDM4ELMNACCR1CCR5

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-108530343-B Rhein specific group modified organic compound, aryl metal complex thereof, preparation method and application thereof 南京师范大学 2021-07-27 — — CN claimed
CN-108530343-A Rhein specific group modified organic compound, aryl metal complex thereof, preparation method and application thereof 南京师范大学 2018-09-14 — — CN claimed
CN-113683557-B Application of cyclopentadienyl iridium/rhodium dimer 南京师范大学 2023-07-14 — — CN disclosed
CN-113683557-A Application of cyclopentadienyl iridium/rhodium dimer 南京师范大学 2021-11-23 — — CN disclosed
CN-108530343-B Rhein specific group modified organic compound, aryl metal complex thereof, preparation method and application thereof 南京师范大学 2021-07-27 — — CN disclosed
CN-108530343-A Rhein specific group modified organic compound, aryl metal complex thereof, preparation method and application thereof 南京师范大学 2018-09-14 — — CN disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 — — US disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 — — US disclosed
WO-2003055477-A1 METHOD FOR THE TREATMENT OF MC RECEPTOR RELATED DISORDERS WITH A CHELATE AND/OR A CHELATOR 7TM PHARMA A/S (DK) 2003-07-10 — — WO disclosed
WO-2003003008-A1 CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES 7TM PHARMA A/S (DK) 2003-01-09 — — WO disclosed
WO-2003003009-A1 USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS 7TM PHARMA A/S (DK) 2003-01-09 — — WO 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-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 LOXL2 3825/4885KDM4E 1544/4885LMNA 2126/4885

“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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