SCHEMBL4133669

SCHEMBL4133669

Clc1nc(I)nc2c1ncn2C1CCCCO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.59
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APEX1 P27695 1/20 0.48
PI4KA P42356 1/20 0.48
BLM P54132 1/20 0.48
ADCY1 Q08828 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.43

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
SCHEMBL29353722 0.87 YTHDC1 (0.72) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL20275400 0.87 YTHDC1 (0.72) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL244963 0.87 YTHDC1 (0.72) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL10310499 0.86 CYP2C19 (0.58) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL179599 0.85 YTHDC1 (0.59) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL112713 0.85 YTHDC1 (0.62) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL935632 0.85 YTHDC1 (0.59) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL29878593 0.85 YTHDC1 (0.59) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL4151824 0.83 YTHDC1 (0.66) YTHDC1CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL5724007 0.81 YTHDC1 (0.56) YTHDC1CYP2C19MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022124859-A1 1'-HOMOADENOSNE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HYPOADIPONECTINEMIA-ASSOCIATED DISEASES OR PSORIASIS, CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2022-06-16 WO disclosed
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1515970-B1 ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF SUMITOMO CHEMICAL CO (JP) 2006-10-18 EP disclosed
US-20060100429-A1 Alkynylpurine compounds and production methods thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-11 US disclosed
CN-1662536-A Alkynylpurine compounds and production methods thereof SUMITOMO CHEMICAL CO (JP) 2005-08-31 CN disclosed
EP-1515970-A1 ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF Sumitomo Chemical Company, Limited (JP) 2005-03-23 EP disclosed
WO-2003106458-A1 ALKYNYLPURINE COMPOUNDS AND PRODUCTION METHODS THEREOF SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-12-24 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 (4 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-20090156596-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 YTHDC1 4127/4885CYP2C19 88/4885MEN1 1262/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB YTHDC1 4875/4885CYP2C19 1585/4885MEN1 892/4885
US-20120178716-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 YTHDC1 4127/4885CYP2C19 88/4885MEN1 1262/4885
US-20060100429-A1 Alkynylpurine compounds and production methods thereof TPMT, IMPDH1, IMPDH2 YTHDC1 1057/4885CYP2C19 937/4885MEN1 1330/4885

“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.