SCHEMBL1708820

SCHEMBL1708820

CN(C)c1cc(N)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
NEK2 P51955 1/20 0.45
LIMK1 P53667 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CYP3A4 P08684 7/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
ALOX15 P16050 4/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP1 P29466 4/20 0.42
MAPT P10636 4/20 0.41
PABPC1 P11940 1/20 0.38
KDM4E B2RXH2 1/20 0.36
THRB P10828 3/20 0.35
RECQL P46063 3/20 0.35
MEN1 O00255 2/20 0.35

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
Sulfuric Acid SCHEMBL7809579 0.88 ALDH1A1 (0.53) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL19983112 0.83 CASP1 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3677213 0.82 CYP3A4 (0.46) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL11811790 0.82 CYP3A4 (0.46) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL7406313 0.80 GAA (0.59) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL865227 0.78 ALDH1A1 (0.54) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2840115 0.78 TDP1 (0.54) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL11524424 0.78 ALDH1A1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3794551 0.78 MAOA (0.50) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL24773629 0.76 CHEK1 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325223-A None JP disclosed
CN-112409998-A Photo-thermal conversion eutectic material containing N, N, N, N-tetramethyl-p-phenylenediamine and preparation method thereof 汕头大学 2021-02-26 CN disclosed
US-9658234-B2 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO., INC. (JP) 2017-05-23 US disclosed
US-9598608-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 US disclosed
US-9512332-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSUINESS MACHINES CORPORATION (US) 2016-12-06 US disclosed
US-20160139134-A1 METHOD FOR ANALYSIS OF COMPOUNDS WITH AMINO GROUP AND ANALYTICAL REAGENT THEREFOR AJINOMOTO CO., INC. (JP) 2016-05-19 US disclosed
US-9274123-B2 Method for analysis of compounds with amino group and analytical reagent therefor AJINOMOTO CO., INC. (JP) 2016-03-01 US disclosed
US-9238204-B2 Gas separation composite membrane and gas separating module, gas separation apparatus and gas separation method using the same FUJIFILM CORPORATION (JP) 2016-01-19 US disclosed
US-20150376442-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 US disclosed
US-20150376451-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-12-31 US disclosed
US-20040259186-A1 Detection of oxidizing agents in urine ARMY, UNITED STATES 2004-12-23 US disclosed
EP-1475632-A1 METHOD OF ANALYZING AMINOFUNCTIONAL COMPOUND AND ANALYTICAL REAGENT Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
US-20040198830-A1 Carbamic acid compounds comprising an ether linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-10-07 US disclosed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed
JP-H08325223-A UREA DERIVATIVE, ITS PRODUCTION AND HEAT-SENSITIVE TYPE DIAZO RECORDING MATERIAL USING THE SAME RICOH CO LTD 1996-12-10 JP disclosed
US-5561198-A DIALKYL ANILINE DERIVATIVES; RADIATION TRANSPARENT; NONTOXIC; ODORLESS; BONDING STRENGTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-10-01 US disclosed
US-5428115-A N,N-dialkyl aniline derivatives as end groups of polymers or oligomers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-06-27 US disclosed
WO-1992018547-A1 ACTIVATOR FOR CYANOACRYLATE ADHESIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-10-29 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 (2 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-20040198830-A1 Carbamic acid compounds comprising an ether linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 CHEK1 2135/4885NEK2 1860/4885LIMK1 1929/4885
US-20160139134-A1 METHOD FOR ANALYSIS OF COMPOUNDS WITH AMINO GROUP AND ANALYTICAL REAGENT THEREFOR CTH, VIP, SLC7A11 CHEK1 4339/4885NEK2 4640/4885LIMK1 4845/4885

“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.