SCHEMBL4465618

SCHEMBL4465618

Cc1cccc2[c]ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PSMD14 O00487 2/20 0.39
COPS5 Q92905 2/20 0.39
CCR1 P32246 3/20 0.39
CCR8 P51685 3/20 0.39
CCR5 P51681 2/20 0.39
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL789544 0.84 PSMD14 (0.43) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL2409550 0.80 CCR1 (0.39) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL855198 0.76 PARP1 (0.33) L3MBTL1NPC1PARP1LMNAGAA
SCHEMBL8467497 0.76 METAP2 (0.48) ADRA1ASLC6A2HTTL3MBTL1NPC1
SCHEMBL27167448 0.76 SMN1; SMN2 (0.33) CYP1A2HTTNPC1HSP90AA1LMNA
SCHEMBL2409957 0.76 CCR1 (0.37) ADRA1APSMD14COPS5CCR1CCR8
SCHEMBL3896844 0.76 NR4A2 (0.43) HTR1AADRA1DADRA1AADRA1BCCR1
SCHEMBL849098 0.76 NCF1 (0.38) PSMD14COPS5CYP1A2PARP1ALDH1A1
SCHEMBL5747832 0.76 GABRA1 (0.36) HTR1AL3MBTL1LMNAGAAKDM4E
SCHEMBL942952 0.76 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BNPC1

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-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-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
US-4555472-A OPTICAL RECORDING MEDIA CANON KABUSHIKI KAISHA (JP) 1985-11-26 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 HTR1A 341/4885ADRA1D 62/4885ADRA1A 100/4885
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 HTR1A 294/4885ADRA1D 185/4885ADRA1A 214/4885

“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.