SCHEMBL4461799

SCHEMBL4461799

[c]1ccc(N2CCCCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TERT O14746 2/20 0.39

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
SCHEMBL1173015 0.98 CHKA (0.43) CHKAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL17316461 0.94 CHKA (0.39) CHKAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL1515215 0.81 LMNA (0.47) MAPTALDH1A1L3MBTL1KDM4EALOX15
SCHEMBL17709568 0.81 MAPT (0.44) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL2402192 0.77 CHRNA7 (0.51) MAPTKDM4EGAAKMT2ANPC1
SCHEMBL17316335 0.76 DYRK1A (0.33) MAPTCHRNB2CHRNA4
SCHEMBL2402319 0.75 HIF1A (0.35) MEN1KMT2ACCR6CHRNB2CHRNA4
SCHEMBL2342728 0.74 HPGD (0.42) MAPTALDH1A1GAANPC1TP53
SCHEMBL2400015 0.74 GFER (0.51) MAPTALDH1A1L3MBTL1KDM4EALOX15
SCHEMBL2401650 0.72 AKR1C3 (0.50) MAPTALDH1A1POLBNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 US disclosed
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2013-07-04 US disclosed
EP-2604595-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
CN-102361887-A Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORP 2012-02-22 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
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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CHKA 3151/4885MAPT 1548/4885ALDH1A1 1181/4885
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 2614/4885MAPT 859/4885ALDH1A1 2467/4885
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME P2RX3, P2RX4, P2RX2 CHKA 3899/4885MAPT 3892/4885ALDH1A1 2167/4885

“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.