SCHEMBL4467284

SCHEMBL4467284

[c]1cnccc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.47
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 3/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PKM P14618 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL4468018 0.98 CHKA (0.48) CHKACYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL17595113 0.81 PLD1 (0.53) HRH3ALDH1A1KDM4EROCK2ROCK1
SCHEMBL1880062 0.81 AR (0.41) CHKACYP1A2HPGDALDH1A1GAA
SCHEMBL4770024 0.78 MAPT (0.37) MAPTLMNAROCK2ROCK1MAPK1
SCHEMBL11908031 0.78 PRKCB (0.44) ROCK2ROCK1HRH4
SCHEMBL10525587 0.72 CYP1A2 (0.47) CYP1A2CYP3A4TDP1L3MBTL1HRH3
SCHEMBL10525752 0.69 HRH3 (0.46) CHKACYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL4465581 0.68 CHKA (0.38) CHKACYP1A2CYP3A4HRH3HPGD
SCHEMBL1852700 0.68 CHKA (0.38) CHKACYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL10648775 0.67 CHKA (0.95) CHKACYP1A2CYP3A4TDP1L3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041474-A1 ANTIPROLIFERATIVE COMPOUNDS Genentech, Inc. (US) 2016-07-13 EP claimed
WO-2015035062-A1 ANTIPROLIFERATIVE COMPOUNDS GENENTECH, INC. (US) 2015-03-12 WO claimed
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. 2015-03-05 US claimed
CN-105611933-B Anti-proliferate compound 基因泰克公司 2019-01-25 CN disclosed
US-9505767-B2 Pyrazolo[1,5-A]pyrimidin-7(4H)-onehistone demethylase inhibitors GENENTECH, INC. (US) 2016-11-29 US disclosed
EP-3041474-A1 ANTIPROLIFERATIVE COMPOUNDS Genentech, Inc. (US) 2016-07-13 EP disclosed
WO-2015035062-A1 ANTIPROLIFERATIVE COMPOUNDS GENENTECH, INC. (US) 2015-03-12 WO disclosed
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. 2015-03-05 US 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
CN-1250548-C Novel adenine derivatives SUMITOMO PHARMA (JP) 2006-04-12 CN disclosed
CN-1512992-A Novel adenine derivatives ס����ҩ��ʽ���� 2004-07-14 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM5A, KDM5B, KDM5C CHKA 732/4885CYP1A2 888/4885CYP3A4 1088/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CHKA 3151/4885CYP1A2 628/4885CYP3A4 1868/4885
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 CHKA 2614/4885CYP1A2 175/4885CYP3A4 611/4885

“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.