SCHEMBL4467255

SCHEMBL4467255

Cc1ccc2ncc[c]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.39
HTR1A P08908 4/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
NQO2 P16083 1/20 0.36
UHRF1 Q96T88 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
KDM4E B2RXH2 3/20 0.33
NCK1 P16333 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 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
SCHEMBL4471481 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2HTR1AADRA1DADRA1A
SCHEMBL856993 0.76 CCNC (0.35) ALDH1A1KDM4EBACE1MEN1KMT2A
SCHEMBL4455873 0.76 NR4A2 (0.43) CYP1A2CCR1KMT2APARP1NPC1
SCHEMBL944985 0.76 HTT (0.41) CYP1A2BACE1SMN1; SMN2CCNB2CDK1
SCHEMBL1451142 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APARP1
SCHEMBL5750340 0.76 NOS3 (0.39) ALDH1A1CYP1A2KDM4EMEN1NOS3
SCHEMBL590041 0.76 LMNA (0.43) ALDH1A1CYP1A2HTR1AADRA1DADRA1A
SCHEMBL28141381 0.73
SCHEMBL5749391 0.72 CDK5 (0.37) ALDH1A1CYP1A2CCNB2CDK1CCNB1
SCHEMBL28843537 0.72 ALDH1A1 (0.34) ALDH1A1

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-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
CN-104507927-A Cyclic azine compound, method for producing same, and organic electroluminescent element containing same TOSOH CORP 2015-04-08 CN disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 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 (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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885CYP1A2 628/4885HTR1A 341/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG ALDH1A1 2467/4885CYP1A2 175/4885HTR1A 294/4885

“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.