SCHEMBL3264472

SCHEMBL3264472

CCc1ccnc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.52
NOS3 P29474 7/20 0.52
NOS1 P29475 4/20 0.42
TLR8 Q9NR97 2/20 0.40
PRKCI P41743 1/20 0.37
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
BACE1 P56817 1/20 0.34
DHFR P00374 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL6031149 0.83 NOS2 (0.53) NOS2NOS3NOS1TLR8CYP2E1
SCHEMBL26489048 0.80 NOS2 (0.44) NOS2NOS3NOS1CYP2E1CYP2C8
SCHEMBL357771 0.80 NOS2 (0.64) NOS2NOS3NOS1TLR8PRKCI
SCHEMBL1433191 0.80 NOS2 (0.41) NOS2NOS3NOS1TLR8CYP2E1
SCHEMBL20001577 0.80 NOS2 (0.56) NOS2NOS3NOS1TLR8PRKCI
SCHEMBL27900729 0.79 TLR8 (0.47) NOS2NOS3TLR8
SCHEMBL18066852 0.78 NOS2 (0.47) NOS2NOS3NOS1TLR8PRKCI
SCHEMBL7841664 0.78 NOS2 (0.39) NOS2NOS3NOS1CYP2E1CYP2C8
SCHEMBL8134172 0.78 NOS2 (0.47) NOS2NOS3NOS1TLR8PRKCI
SCHEMBL9189865 0.78 NOS2 (0.39) NOS2NOS3NOS1CYP2E1CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
US-11600791-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-03-07 US disclosed
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 EP disclosed
EP-3936512-A1 PYRIDYL CARBENE PHOSPHORESCENT EMITTERS Universal Display Corporation (US) 2022-01-12 EP disclosed
CN-113387962-A Pyrazolo [3,4-d ] pyrimidine-3-one derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-14 CN disclosed
EP-3424935-B1 IMIDAZOPYRAZINYL CARBENE PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORP (US) 2021-08-11 EP disclosed
US-20210050530-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-02-18 US disclosed
US-10873038-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-12-22 US disclosed
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-20120228583-A1 PYRIDYL CARBENE PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2012-09-13 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010059401-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-05-27 WO disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
CN-101611018-A Heterocyclic sulfonamide with Edg-I antagonistic activity ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres VIDAL LAURENT 2006-05-04 US disclosed
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-04-28 US disclosed
US-4931487-A Chain extenders for polyurethanes DOW CHEMICAL COMPANY 1990-06-05 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 (8 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NOS2 887/4885NOS3 1368/4885NOS1 1487/4885
US-20210050530-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NUDC, NCL, NDC1 NOS2 187/4885NOS3 777/4885NOS1 471/4885
US-10873038-B2 Organic electroluminescent materials and devices NUDC, NCL, NDC1 NOS2 187/4885NOS3 777/4885NOS1 471/4885
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 NOS2 1380/4885NOS3 1565/4885NOS1 646/4885
US-20120228583-A1 PYRIDYL CARBENE PHOSPHORESCENT EMITTERS PAICS, PIR, NUDC NOS2 722/4885NOS3 1681/4885NOS1 1578/4885
US-11600791-B2 Organic electroluminescent materials and devices NUDC, NCL, NDC1 NOS2 187/4885NOS3 777/4885NOS1 471/4885
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 NOS2 1952/4885NOS3 1961/4885NOS1 2671/4885
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 NOS2 1952/4885NOS3 1961/4885NOS1 2671/4885

“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.